| Ligand | Protein Symbol | Approved Name | Docking Scores |
Similarity Score |
Best Match | Prediction | |||
|---|---|---|---|---|---|---|---|---|---|
| Model 1 | Model 2 | Model 3 | Result | Confidence Level | |||||
| Heroin | 5HT1A_HUMAN | 5-hydroxytryptamine receptor 1A | -8.68 | -7.64 | -8.26 | 47.55% | CHEMBL49838 | Inactive | 52.43% |
| Cocaine | 5HT1A_HUMAN | 5-hydroxytryptamine receptor 1A | -8.49 | -7.37 | -7.38 | 60.33% | CHEMBL56564 | Active | 62.30% |
| Heroin | 5HT1B_HUMAN | 5-hydroxytryptamine receptor 1B | -8.84 | -9.16 | -9.67 | 46.63% | CHEMBL29951 | N/A | N/A |
| Cocaine | 5HT1B_HUMAN | 5-hydroxytryptamine receptor 1B | -8.32 | -8.28 | -8.12 | 46.51% | CHEMBL79693 | N/A | N/A |
| Heroin | 5HT1D_HUMAN | 5-hydroxytryptamine receptor 1D | -9.15 | -7.59 | -7.55 | 46.63% | CHEMBL29951 | N/A | N/A |
| Cocaine | 5HT1D_HUMAN | 5-hydroxytryptamine receptor 1D | -8.02 | -7.73 | -7.02 | 46.51% | CHEMBL79693 | N/A | N/A |
| Heroin | 5HT1E_HUMAN | 5-hydroxytryptamine receptor 1E | -8.24 | -7.61 | -8.21 | 26.49% | CHEMBL343755 | Inactive | 71.03% |
| Cocaine | 5HT1E_HUMAN | 5-hydroxytryptamine receptor 1E | -7.67 | -7.90 | -8.24 | 26.55% | CHEMBL103479 | Active | 53.04% |
| Heroin | 5HT1F_HUMAN | 5-hydroxytryptamine receptor 1F | -9.28 | -9.38 | -9.60 | 26.47% | CHEMBL497963 | Inactive | 71.38% |
| Cocaine | 5HT1F_HUMAN | 5-hydroxytryptamine receptor 1F | -8.39 | -8.42 | -8.62 | 29.76% | CHEMBL320198 | Inactive | 57.25% |
| Heroin | 5HT2A_HUMAN | 5-hydroxytryptamine receptor 2A | -9.45 | -7.40 | N/A | 47.74% | CHEMBL3695438 | N/A | N/A |
| Cocaine | 5HT2A_HUMAN | 5-hydroxytryptamine receptor 2A | -8.29 | -8.35 | N/A | 65.62% | CHEMBL1201203 | N/A | N/A |
| Heroin | 5HT2B_HUMAN | 5-hydroxytryptamine receptor 2B | -8.63 | -8.94 | -9.24 | 45.71% | CHEMBL445106 | N/A | N/A |
| Cocaine | 5HT2B_HUMAN | 5-hydroxytryptamine receptor 2B | -7.60 | -8.08 | -8.09 | 65.62% | CHEMBL1201203 | N/A | N/A |
| Heroin | 5HT2C_HUMAN | 5-hydroxytryptamine receptor 2C | -8.91 | -9.12 | N/A | 45.71% | CHEMBL445106 | N/A | N/A |
| Cocaine | 5HT2C_HUMAN | 5-hydroxytryptamine receptor 2C | -7.93 | -8.85 | N/A | 65.62% | CHEMBL1201203 | N/A | N/A |
| Heroin | 5HT4R_HUMAN | 5-hydroxytryptamine receptor 4 | -9.55 | -9.30 | -7.46 | 36.73% | CHEMBL571799 | Inactive | 59.81% |
| Cocaine | 5HT4R_HUMAN | 5-hydroxytryptamine receptor 4 | -8.37 | -8.39 | -7.43 | 60.33% | CHEMBL56564 | Active | 75.18% |
| Heroin | 5HT5A_HUMAN | 5-hydroxytryptamine receptor 5A | -9.92 | -7.50 | -8.25 | 41.05% | CHEMBL278751 | Inactive | 74.19% |
| Cocaine | 5HT5A_HUMAN | 5-hydroxytryptamine receptor 5A | -8.11 | -6.45 | -6.95 | 38.28% | CHEMBL161507 | Inactive | 55.30% |
| Heroin | 5HT6R_HUMAN | 5-hydroxytryptamine receptor 6 | -8.27 | -7.96 | -7.77 | 43.36% | CHEMBL429023 | Active | 63.09% |
| Cocaine | 5HT6R_HUMAN | 5-hydroxytryptamine receptor 6 | -7.38 | -7.56 | -8.23 | 55.66% | CHEMBL1626 | Active | 91.64% |
| Heroin | 5HT7R_HUMAN | 5-hydroxytryptamine receptor 7 | -8.86 | -9.18 | -9.31 | 42.06% | CHEMBL3581246 | Active | 74.24% |
| Cocaine | 5HT7R_HUMAN | 5-hydroxytryptamine receptor 7 | -7.70 | -7.68 | -7.67 | 44.00% | CHEMBL203400 | Active | 57.55% |
| Heroin | AA1R_HUMAN | adenosine A1 receptor | -8.28 | -9.04 | -7.24 | 29.48% | CHEMBL1090687 | N/A | N/A |
| Cocaine | AA1R_HUMAN | adenosine A1 receptor | -7.76 | -8.03 | -7.78 | 38.04% | CHEMBL3350613 | N/A | N/A |
| Heroin | AA2AR_HUMAN | adenosine A2a receptor | -7.48 | -7.87 | -9.48 | 35.71% | CHEMBL559023 | N/A | N/A |
| Cocaine | AA2AR_HUMAN | adenosine A2a receptor | -7.75 | -7.56 | -8.15 | 38.04% | CHEMBL3350613 | N/A | N/A |
| Heroin | AA2BR_HUMAN | adenosine A2b receptor | -8.90 | -8.88 | -9.01 | 30.71% | CHEMBL589251 | Inactive | 53.78% |
| Cocaine | AA2BR_HUMAN | adenosine A2b receptor | -7.49 | -7.98 | -7.63 | 34.91% | CHEMBL384257 | Inactive | 62.04% |
| Heroin | AA3R_HUMAN | adenosine A3 receptor | -4.56 | -4.37 | -8.41 | 55.86% | CHEMBL80 | Active | 62.29% |
| Cocaine | AA3R_HUMAN | adenosine A3 receptor | -7.84 | -6.56 | -8.35 | 69.90% | CHEMBL2107804 | Active | 95.77% |
| Heroin | ACM1_HUMAN | cholinergic receptor muscarinic 1 | -9.46 | 4.59 | N/A | 43.05% | CHEMBL2312344 | N/A | N/A |
| Cocaine | ACM1_HUMAN | cholinergic receptor muscarinic 1 | -9.21 | -3.38 | N/A | 71.29% | CHEMBL85190 | N/A | N/A |
| Heroin | ACM2_HUMAN | cholinergic receptor muscarinic 2 | -9.90 | -8.69 | -10.25 | 40.51% | CHEMBL343236 | Inactive | 52.32% |
| Cocaine | ACM2_HUMAN | cholinergic receptor muscarinic 2 | -8.02 | -7.92 | -9.03 | 71.29% | CHEMBL85190 | Active | 90.74% |
| Heroin | ACM3_HUMAN | cholinergic receptor muscarinic 3 | -8.90 | -9.54 | -8.35 | 40.77% | CHEMBL1921911 | Active | 59.88% |
| Cocaine | ACM3_HUMAN | cholinergic receptor muscarinic 3 | -7.96 | -8.65 | -9.29 | 65.62% | CHEMBL1201203 | Active | 75.43% |
| Heroin | ACM4_HUMAN | cholinergic receptor muscarinic 4 | -7.77 | -7.29 | N/A | 38.46% | CHEMBL1346 | N/A | N/A |
| Cocaine | ACM4_HUMAN | cholinergic receptor muscarinic 4 | -9.22 | -7.78 | N/A | 71.29% | CHEMBL85190 | N/A | N/A |
| Heroin | ACM5_HUMAN | cholinergic receptor muscarinic 5 | -9.45 | -9.39 | -8.25 | 42.67% | CHEMBL2312366 | Active | 62.49% |
| Cocaine | ACM5_HUMAN | cholinergic receptor muscarinic 5 | -8.78 | -8.83 | -8.96 | 65.62% | CHEMBL1201203 | Active | 78.76% |
| Heroin | ACTHR_HUMAN | melanocortin 2 receptor | -8.35 | -8.52 | -8.56 | N/A | N/A | N/A | N/A |
| Cocaine | ACTHR_HUMAN | melanocortin 2 receptor | -9.28 | -8.70 | -7.95 | N/A | N/A | N/A | N/A |
| Heroin | ADA1D_HUMAN | adrenoceptor alpha 1D | -8.58 | -8.86 | -9.02 | 40.58% | CHEMBL383938 | Inactive | 64.77% |
| Cocaine | ADA1D_HUMAN | adrenoceptor alpha 1D | -7.67 | -8.60 | -7.62 | 65.62% | CHEMBL1201203 | Active | 83.09% |
| Heroin | ADA2A_HUMAN | adrenoceptor alpha 2A | -0.96 | -1.81 | 2.23 | 42.36% | CHEMBL50588 | Inactive | 99.99% |
| Cocaine | ADA2A_HUMAN | adrenoceptor alpha 2A | -6.15 | -6.98 | -5.71 | 65.62% | CHEMBL1201203 | Active | 91.05% |
| Heroin | ADA2B_HUMAN | adrenoceptor alpha 2B | -7.52 | -6.14 | -4.74 | 36.32% | CHEMBL268258 | Active | 55.11% |
| Cocaine | ADA2B_HUMAN | adrenoceptor alpha 2B | -9.09 | -8.76 | -8.67 | 65.62% | CHEMBL1201203 | Active | 84.06% |
| Heroin | ADA2C_HUMAN | adrenoceptor alpha 2C | 5.36 | 5.10 | 4.53 | 42.36% | CHEMBL50588 | Inactive | 99.99% |
| Cocaine | ADA2C_HUMAN | adrenoceptor alpha 2C | -4.16 | -3.94 | -2.84 | 65.62% | CHEMBL1201203 | Inactive | 99.99% |
| Heroin | ADRB1_HUMAN | adrenoceptor beta 1 | -9.09 | -8.03 | -8.60 | 38.46% | CHEMBL1346 | Inactive | 60.94% |
| Cocaine | ADRB1_HUMAN | adrenoceptor beta 1 | -8.53 | -8.05 | -8.49 | 45.90% | CHEMBL1085395 | Active | 54.92% |
| Heroin | ADRB2_HUMAN | adrenoceptor beta 2 | -7.87 | -8.85 | -9.49 | 40.36% | CHEMBL1714856 | N/A | N/A |
| Cocaine | ADRB2_HUMAN | adrenoceptor beta 2 | -7.61 | -8.27 | -8.16 | 49.60% | CHEMBL1459608 | N/A | N/A |
| Heroin | ADRB3_HUMAN | adrenoceptor beta 3 | -9.02 | -8.21 | -8.70 | 41.67% | CHEMBL59765 | N/A | N/A |
| Cocaine | ADRB3_HUMAN | adrenoceptor beta 3 | -8.02 | -7.77 | -7.74 | 49.23% | CHEMBL3746885 | N/A | N/A |
| Heroin | AGTR2_HUMAN | angiotensin II receptor type 2 | -8.46 | -8.44 | -8.46 | 41.15% | CHEMBL154057 | N/A | N/A |
| Cocaine | AGTR2_HUMAN | angiotensin II receptor type 2 | -7.97 | -8.11 | -7.59 | 32.61% | CHEMBL376286 | N/A | N/A |
| Heroin | BKRB2_HUMAN | bradykinin receptor B2 | -8.28 | -10.89 | -9.28 | 28.09% | CHEMBL2105864 | Inactive | 70.52% |
| Cocaine | BKRB2_HUMAN | bradykinin receptor B2 | -7.77 | -9.72 | -8.49 | 35.66% | CHEMBL406291 | Inactive | 66.43% |
| Heroin | CALCR_HUMAN | calcitonin receptor | -7.87 | -8.23 | -8.47 | 27.31% | CHEMBL2369895 | Inactive | 98.39% |
| Cocaine | CALCR_HUMAN | calcitonin receptor | -8.01 | -8.02 | -7.92 | 32.95% | CHEMBL2369895 | Inactive | 98.28% |
| Heroin | CCKAR_HUMAN | cholecystokinin A receptor | -8.85 | -8.20 | -8.52 | 28.89% | CHEMBL249151 | Inactive | 92.59% |
| Cocaine | CCKAR_HUMAN | cholecystokinin A receptor | -8.15 | -8.45 | -9.19 | 36.96% | CHEMBL206025 | Inactive | 84.62% |
| Heroin | CCR1_HUMAN | C-C motif chemokine receptor 1 | -8.95 | -7.90 | -7.87 | 37.72% | CHEMBL2391937 | Inactive | 79.92% |
| Cocaine | CCR1_HUMAN | C-C motif chemokine receptor 1 | -7.80 | -6.77 | -6.94 | 47.24% | CHEMBL344324 | Inactive | 93.85% |
| Heroin | CCR2_HUMAN | C-C motif chemokine receptor 2 | -8.74 | -8.66 | -7.96 | 39.00% | CHEMBL3589950 | Inactive | 54.02% |
| Cocaine | CCR2_HUMAN | C-C motif chemokine receptor 2 | -7.48 | -7.46 | -7.06 | 50.43% | CHEMBL1683053 | Inactive | 84.84% |
| Heroin | CCR4_HUMAN | C-C motif chemokine receptor 4 | -7.33 | -8.46 | -8.96 | 29.15% | CHEMBL1907216 | Inactive | 69.74% |
| Cocaine | CCR4_HUMAN | C-C motif chemokine receptor 4 | -7.79 | -7.32 | -7.49 | 31.69% | CHEMBL1907216 | Inactive | 65.84% |
| Heroin | CCR5_HUMAN | C-C motif chemokine receptor 5 | -8.55 | -8.49 | -7.93 | 45.36% | CHEMBL3219777 | Inactive | 76.36% |
| Cocaine | CCR5_HUMAN | C-C motif chemokine receptor 5 | -7.49 | -8.10 | -7.43 | 54.76% | CHEMBL101333 | Inactive | 88.30% |
| Heroin | CLTR1_HUMAN | cysteinyl leukotriene receptor 1 | -8.58 | -8.85 | -10.18 | 34.26% | CHEMBL1214532 | Inactive | 77.56% |
| Cocaine | CLTR1_HUMAN | cysteinyl leukotriene receptor 1 | -7.23 | -7.74 | -8.62 | 32.96% | CHEMBL3342957 | Inactive | 96.83% |
| Heroin | CNR1_HUMAN | cannabinoid receptor 1 | -7.79 | -9.66 | -9.84 | 52.34% | CHEMBL1668516 | N/A | N/A |
| Cocaine | CNR1_HUMAN | cannabinoid receptor 1 | -6.60 | -8.50 | -8.29 | 42.86% | CHEMBL1765160 | N/A | N/A |
| Heroin | CNR2_HUMAN | cannabinoid receptor 2 | -10.27 | -10.13 | N/A | 53.23% | CHEMBL2348471 | N/A | N/A |
| Cocaine | CNR2_HUMAN | cannabinoid receptor 2 | -8.66 | -8.53 | N/A | 50.00% | CHEMBL1765285 | N/A | N/A |
| Heroin | CXCR1_HUMAN | C-X-C motif chemokine receptor 1 | -8.34 | N/A | N/A | 28.73% | CHEMBL490688 | N/A | N/A |
| Cocaine | CXCR1_HUMAN | C-X-C motif chemokine receptor 1 | -7.33 | N/A | N/A | 25.37% | CHEMBL556862 | N/A | N/A |
| Heroin | CXCR2_HUMAN | C-X-C motif chemokine receptor 2 | -8.27 | -8.06 | -7.83 | 32.59% | CHEMBL3645131 | Inactive | 68.27% |
| Cocaine | CXCR2_HUMAN | C-X-C motif chemokine receptor 2 | -7.76 | -6.78 | -6.73 | 33.33% | CHEMBL3645131 | Inactive | 70.73% |
| Heroin | CXCR3_HUMAN | C-X-C motif chemokine receptor 3 | -8.86 | -8.59 | -8.51 | 43.38% | CHEMBL3697086 | Inactive | 85.32% |
| Cocaine | CXCR3_HUMAN | C-X-C motif chemokine receptor 3 | -8.08 | -8.00 | -7.81 | 38.13% | CHEMBL458422 | Inactive | 95.63% |
| Heroin | CXCR4_HUMAN | C-X-C motif chemokine receptor 4 | -8.66 | -7.45 | -7.75 | 31.98% | CHEMBL2029611 | N/A | N/A |
| Cocaine | CXCR4_HUMAN | C-X-C motif chemokine receptor 4 | -7.42 | -7.12 | -7.46 | 33.84% | CHEMBL3923006 | N/A | N/A |
| Heroin | DRD1_HUMAN | dopamine receptor D1 | -7.79 | -8.69 | -8.94 | 45.89% | CHEMBL3781035 | Active | 71.93% |
| Cocaine | DRD1_HUMAN | dopamine receptor D1 | -8.10 | -7.97 | -7.88 | 56.60% | CHEMBL305660 | Active | 63.31% |
| Heroin | DRD2_HUMAN | dopamine receptor D2 | -8.04 | N/A | N/A | 50.78% | CHEMBL170976 | N/A | N/A |
| Cocaine | DRD2_HUMAN | dopamine receptor D2 | -7.74 | N/A | N/A | 62.50% | CHEMBL3318839 | N/A | N/A |
| Heroin | DRD3_HUMAN | dopamine receptor D3 | -8.45 | N/A | N/A | 50.78% | CHEMBL170976 | N/A | N/A |
| Cocaine | DRD3_HUMAN | dopamine receptor D3 | -7.30 | N/A | N/A | 65.62% | CHEMBL1201203 | N/A | N/A |
| Heroin | DRD4_HUMAN | dopamine receptor D4 | -8.51 | -8.90 | N/A | 44.81% | CHEMBL132261 | N/A | N/A |
| Cocaine | DRD4_HUMAN | dopamine receptor D4 | -8.09 | -8.21 | N/A | 62.50% | CHEMBL3318835 | N/A | N/A |
| Heroin | DRD5_HUMAN | dopamine receptor D5 | -7.88 | -7.12 | -7.53 | 42.80% | CHEMBL3577346 | Inactive | 66.68% |
| Cocaine | DRD5_HUMAN | dopamine receptor D5 | -8.07 | -9.05 | -7.29 | 42.86% | CHEMBL54 | Inactive | 65.00% |
| Heroin | EDNRA_HUMAN | endothelin receptor type A | -8.25 | -8.01 | -8.04 | 42.92% | CHEMBL323951 | Active | 57.57% |
| Cocaine | EDNRA_HUMAN | endothelin receptor type A | -7.20 | -7.17 | -6.86 | 37.31% | CHEMBL315927 | Inactive | 54.20% |
| Heroin | GABR1_HUMAN | gamma-aminobutyric acid type B receptor subunit 1 | 6.02 | 4.28 | 12.05 | 17.34% | CHEMBL2391908 | Inactive | 99.99% |
| Cocaine | GABR1_HUMAN | gamma-aminobutyric acid type B receptor subunit 1 | -2.80 | -3.59 | 0.61 | 21.02% | CHEMBL2391908 | Inactive | 99.99% |
| Heroin | GASR_HUMAN | cholecystokinin B receptor | -8.68 | -8.27 | -6.94 | 53.30% | CHEMBL452991 | Inactive | 51.99% |
| Cocaine | GASR_HUMAN | cholecystokinin B receptor | -7.64 | -8.19 | -5.65 | 42.48% | CHEMBL103276 | Inactive | 73.28% |
| Heroin | GRM1_HUMAN | glutamate metabotropic receptor 1 | -7.55 | -6.33 | -2.70 | 33.85% | CHEMBL2111944 | Inactive | 99.99% |
| Cocaine | GRM1_HUMAN | glutamate metabotropic receptor 1 | -7.56 | -7.62 | -7.41 | 34.62% | CHEMBL92162 | Inactive | 68.63% |
| Heroin | GRM2_HUMAN | glutamate metabotropic receptor 2 | 2.71 | 3.56 | 4.04 | 31.76% | CHEMBL287831 | Inactive | 99.99% |
| Cocaine | GRM2_HUMAN | glutamate metabotropic receptor 2 | -5.13 | -5.15 | -4.40 | 57.01% | CHEMBL3955458 | Active | 78.11% |
| Heroin | GRM3_HUMAN | glutamate metabotropic receptor 3 | 0.02 | -2.38 | -1.34 | 30.20% | CHEMBL341457 | Inactive | 99.99% |
| Cocaine | GRM3_HUMAN | glutamate metabotropic receptor 3 | -5.43 | -6.47 | -6.42 | 57.01% | CHEMBL3955458 | Active | 62.19% |
| Heroin | GRM4_HUMAN | glutamate metabotropic receptor 4 | 2.96 | 2.48 | 2.39 | 28.37% | CHEMBL2063423 | Inactive | 99.99% |
| Cocaine | GRM4_HUMAN | glutamate metabotropic receptor 4 | -3.27 | -2.20 | -2.33 | 28.12% | CHEMBL578988 | Inactive | 99.99% |
| Heroin | GRM5_HUMAN | glutamate metabotropic receptor 5 | -6.43 | 0.62 | -1.96 | 29.67% | CHEMBL3805652 | N/A | N/A |
| Cocaine | GRM5_HUMAN | glutamate metabotropic receptor 5 | -8.63 | -5.59 | -5.90 | 42.50% | CHEMBL3926962 | N/A | N/A |
| Heroin | GRM6_HUMAN | glutamate metabotropic receptor 6 | -2.39 | -6.18 | -4.51 | 17.48% | CHEMBL1585091 | Inactive | 99.99% |
| Cocaine | GRM6_HUMAN | glutamate metabotropic receptor 6 | -6.89 | -7.62 | -7.18 | 38.32% | CHEMBL275079 | Inactive | 98.63% |
| Heroin | GRM7_HUMAN | glutamate metabotropic receptor 7 | -1.17 | 0.98 | 1.56 | 29.44% | CHEMBL432038 | Inactive | 99.99% |
| Cocaine | GRM7_HUMAN | glutamate metabotropic receptor 7 | -5.55 | -5.20 | -4.95 | 30.37% | CHEMBL432038 | Inactive | 99.97% |
| Heroin | GRM8_HUMAN | glutamate metabotropic receptor 8 | 6.41 | 7.05 | 8.02 | 29.91% | CHEMBL95868 | Inactive | 99.99% |
| Cocaine | GRM8_HUMAN | glutamate metabotropic receptor 8 | -3.86 | -3.38 | -2.76 | 31.11% | CHEMBL95868 | Inactive | 99.99% |
| Heroin | HRH1_HUMAN | histamine receptor H1 | -7.01 | N/A | N/A | 40.30% | CHEMBL476839 | N/A | N/A |
| Cocaine | HRH1_HUMAN | histamine receptor H1 | -6.41 | N/A | N/A | 65.62% | CHEMBL1201203 | N/A | N/A |
| Heroin | HRH2_HUMAN | histamine receptor H2 | -8.96 | -8.71 | -8.65 | 37.68% | CHEMBL490632 | Active | 98.32% |
| Cocaine | HRH2_HUMAN | histamine receptor H2 | -8.40 | -7.49 | -7.05 | 55.66% | CHEMBL1626 | Active | 91.60% |
| Heroin | HRH3_HUMAN | histamine receptor H3 | -7.61 | -8.78 | -9.21 | 45.00% | CHEMBL1935421 | Active | 60.31% |
| Cocaine | HRH3_HUMAN | histamine receptor H3 | -7.34 | -7.92 | -7.84 | 55.28% | CHEMBL514217 | Active | 79.12% |
| Heroin | HRH4_HUMAN | histamine receptor H4 | -7.94 | -6.87 | -7.93 | 34.98% | CHEMBL1934062 | Inactive | 51.29% |
| Cocaine | HRH4_HUMAN | histamine receptor H4 | -7.83 | -7.75 | -7.97 | 53.23% | CHEMBL4083336 | Active | 85.47% |
| Heroin | MC3R_HUMAN | melanocortin 3 receptor | -8.43 | -8.21 | -7.18 | 32.92% | CHEMBL257759 | Inactive | 73.31% |
| Cocaine | MC3R_HUMAN | melanocortin 3 receptor | -7.00 | -7.02 | -6.89 | 47.83% | CHEMBL379879 | Inactive | 52.12% |
| Heroin | MC4R_HUMAN | melanocortin 4 receptor | -8.17 | -7.57 | -7.45 | 34.69% | CHEMBL439361 | Inactive | 95.04% |
| Cocaine | MC4R_HUMAN | melanocortin 4 receptor | -6.86 | -6.32 | -6.46 | 47.83% | CHEMBL379879 | Inactive | 74.10% |
| Heroin | MC5R_HUMAN | melanocortin 5 receptor | -6.26 | -7.42 | -4.75 | 32.92% | CHEMBL257759 | Inactive | 87.21% |
| Cocaine | MC5R_HUMAN | melanocortin 5 receptor | -6.15 | -7.48 | -4.80 | 37.21% | CHEMBL1209788 | Inactive | 84.94% |
| Heroin | MSHR_HUMAN | melanocortin 1 receptor | -8.08 | -7.90 | -8.34 | 34.60% | CHEMBL442537 | Inactive | 69.76% |
| Cocaine | MSHR_HUMAN | melanocortin 1 receptor | -7.38 | -7.77 | -7.74 | 47.83% | CHEMBL379879 | Inactive | 57.96% |
| Heroin | NK1R_HUMAN | tachykinin receptor 1 | -9.22 | -7.83 | -7.72 | 44.73% | CHEMBL327606 | N/A | N/A |
| Cocaine | NK1R_HUMAN | tachykinin receptor 1 | -7.83 | -8.12 | -7.35 | 54.84% | CHEMBL2115009 | N/A | N/A |
| Heroin | NK2R_HUMAN | tachykinin receptor 2 | -8.70 | -8.42 | -8.68 | 42.64% | CHEMBL553025 | Inactive | 92.92% |
| Cocaine | NK2R_HUMAN | tachykinin receptor 2 | -7.89 | -7.47 | -7.62 | 56.60% | CHEMBL305660 | Inactive | 92.97% |
| Heroin | NPBW1_HUMAN | neuropeptides B and W receptor 1 | -7.81 | -8.37 | -8.54 | 29.17% | CHEMBL1940539 | Inactive | 90.49% |
| Cocaine | NPBW1_HUMAN | neuropeptides B and W receptor 1 | -7.72 | -6.89 | -7.40 | 29.89% | CHEMBL1977658 | Inactive | 92.67% |
| Heroin | NPFF1_HUMAN | neuropeptide FF receptor 1 | -8.24 | -8.09 | -8.14 | 26.34% | CHEMBL2208334 | Inactive | 66.22% |
| Cocaine | NPFF1_HUMAN | neuropeptide FF receptor 1 | -7.30 | -7.60 | -7.30 | 33.10% | CHEMBL1672379 | Inactive | 88.23% |
| Heroin | NPSR1_HUMAN | neuropeptide S receptor 1 | -8.06 | -8.73 | -9.75 | 32.56% | CHEMBL1801359 | Inactive | 63.75% |
| Cocaine | NPSR1_HUMAN | neuropeptide S receptor 1 | -7.23 | -8.34 | -8.14 | 31.58% | CHEMBL230333 | Inactive | 72.32% |
| Heroin | NPY1R_HUMAN | neuropeptide Y receptor Y1 | -9.74 | -8.62 | -8.97 | 33.33% | CHEMBL356118 | N/A | N/A |
| Cocaine | NPY1R_HUMAN | neuropeptide Y receptor Y1 | -8.57 | -8.59 | -7.68 | 42.14% | CHEMBL1223991 | N/A | N/A |
| Heroin | NPY2R_HUMAN | neuropeptide Y receptor Y2 | -8.50 | -8.30 | -8.97 | 29.52% | CHEMBL2030193 | Inactive | 94.03% |
| Cocaine | NPY2R_HUMAN | neuropeptide Y receptor Y2 | -7.07 | -7.79 | -7.34 | 38.69% | CHEMBL2030150 | Inactive | 93.83% |
| Heroin | NPY4R_HUMAN | neuropeptide Y receptor Y4 | -9.00 | -9.10 | -9.08 | 28.57% | CHEMBL3099721 | Inactive | 97.37% |
| Cocaine | NPY4R_HUMAN | neuropeptide Y receptor Y4 | -7.65 | -7.89 | -8.03 | 33.99% | CHEMBL2440119 | Inactive | 51.78% |
| Heroin | NPY5R_HUMAN | neuropeptide Y receptor Y5 | -8.20 | -8.09 | -7.53 | 44.49% | CHEMBL349386 | Inactive | 76.99% |
| Cocaine | NPY5R_HUMAN | neuropeptide Y receptor Y5 | -7.53 | -7.87 | -7.42 | 46.32% | CHEMBL522913 | Inactive | 86.94% |
| Heroin | OPRD_HUMAN | opioid receptor delta 1 | -7.82 | -7.23 | -7.50 | 91.33% | CHEMBL199931 | N/A | N/A |
| Cocaine | OPRD_HUMAN | opioid receptor delta 1 | -7.04 | -6.26 | -6.56 | 46.10% | CHEMBL575647 | N/A | N/A |
| Heroin | OPRK_HUMAN | opioid receptor kappa 1 | -9.52 | -8.81 | -8.23 | 91.33% | CHEMBL199931 | N/A | N/A |
| Cocaine | OPRK_HUMAN | opioid receptor kappa 1 | -8.36 | -8.36 | -8.13 | 52.00% | CHEMBL179350 | N/A | N/A |
| Heroin | OPRM_HUMAN | opioid receptor mu 1 | -8.74 | -7.48 | -7.39 | 91.33% | CHEMBL199931 | Active | 95.49% |
| Cocaine | OPRM_HUMAN | opioid receptor mu 1 | -7.88 | -6.13 | -7.60 | 53.15% | CHEMBL255768 | Inactive | 67.88% |
| Heroin | OPRX_HUMAN | opioid related nociceptin receptor 1 | -7.48 | -7.70 | -7.75 | 88.72% | CHEMBL3262362 | N/A | N/A |
| Cocaine | OPRX_HUMAN | opioid related nociceptin receptor 1 | -6.75 | -6.76 | -6.87 | 52.27% | CHEMBL1783822 | N/A | N/A |
| Heroin | PTAFR_HUMAN | platelet activating factor receptor | -9.28 | -8.70 | -9.12 | 36.48% | CHEMBL34669 | Inactive | 51.75% |
| Cocaine | PTAFR_HUMAN | platelet activating factor receptor | -7.36 | -7.28 | -7.49 | 40.62% | CHEMBL2304167 | Active | 52.78% |
| Heroin | TAAR1_HUMAN | trace amine associated receptor 1 | -9.54 | -9.59 | -8.99 | 42.08% | CHEMBL2136532 | Inactive | 74.16% |
| Cocaine | TAAR1_HUMAN | trace amine associated receptor 1 | -8.33 | -7.96 | -7.73 | 46.67% | CHEMBL1305977 | Active | 66.28% |
| Heroin | TSHR_HUMAN | thyroid stimulating hormone receptor | -9.43 | -9.46 | -9.14 | 29.46% | CHEMBL3897841 | Inactive | 96.91% |
| Cocaine | TSHR_HUMAN | thyroid stimulating hormone receptor | -9.04 | -8.80 | -8.47 | 29.44% | CHEMBL3897841 | Inactive | 96.86% |
| Heroin | V1AR_HUMAN | arginine vasopressin receptor 1A | -7.88 | -8.17 | -8.83 | 34.58% | CHEMBL3416874 | Inactive | 83.56% |
| Cocaine | V1AR_HUMAN | arginine vasopressin receptor 1A | -7.23 | -7.23 | -7.42 | 41.22% | CHEMBL3416867 | Inactive | 89.79% |
| Heroin | VIPR1_HUMAN | vasoactive intestinal peptide receptor 1 | -7.73 | -9.49 | -8.65 | 25.50% | CHEMBL507480 | N/A | N/A |
| Cocaine | VIPR1_HUMAN | vasoactive intestinal peptide receptor 1 | -7.23 | -7.84 | -7.64 | 30.05% | CHEMBL3884667 | N/A | N/A |