name #456 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

Protein Symbol Approved Name Docking Scores Similarity
Score
Best Match Prediction
Model 1 Model 2 Model 3 Result Confidence Level
5HT1A_HUMAN 5-hydroxytryptamine receptor 1A -8.32 -7.88 -8.65 51.18% CHEMBL29951 Active 61.99%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -9.15 -9.14 -8.18 51.18% CHEMBL29951 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -9.30 -8.94 -7.98 51.18% CHEMBL29951 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -8.69 -8.39 -8.27 24.59% CHEMBL22744 Inactive 73.66%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -8.94 -9.05 -9.05 25.58% CHEMBL3616488 Inactive 72.89%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.74 -9.39 N/A 49.54% CHEMBL268890 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -9.27 -9.10 -9.21 53.51% CHEMBL4458099 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.73 -8.45 N/A 48.18% CHEMBL2022193 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -9.93 -9.25 -8.82 35.56% CHEMBL571799 Inactive 52.91%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.75 -7.36 -8.12 40.48% CHEMBL278751 Inactive 67.28%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.35 -8.25 -9.16 43.83% CHEMBL429023 Active 71.01%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.60 -8.71 -8.32 48.67% CHEMBL4513930 Active 55.47%
AA1R_HUMAN adenosine A1 receptor -8.73 -8.69 -8.43 35.40% CHEMBL1269107 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -8.33 -8.51 -9.15 27.21% CHEMBL355390 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.29 -8.58 -9.02 27.13% CHEMBL3317575 Inactive 59.57%
AA3R_HUMAN adenosine A3 receptor -9.30 -6.68 -9.17 32.22% CHEMBL2203622 Inactive 69.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.63 -2.16 N/A 44.09% CHEMBL343236 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -9.55 -8.69 -10.43 44.09% CHEMBL343236 Active 56.10%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.29 -9.89 -9.26 41.60% CHEMBL1101 Active 50.51%
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.85 -8.41 N/A 41.60% CHEMBL1101 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -10.19 -10.33 -8.53 35.66% CHEMBL490 Active 74.27%
ACTHR_HUMAN melanocortin 2 receptor -10.75 -10.18 -9.72 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -9.11 -8.38 -9.22 45.97% CHEMBL101739 Active 60.97%
ADA2A_HUMAN adrenoceptor alpha 2A -7.68 -8.80 -4.08 47.62% CHEMBL513389 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -8.60 -9.47 -8.69 42.54% CHEMBL179648 Active 71.37%
ADA2C_HUMAN adrenoceptor alpha 2C -1.67 -1.11 0.11 42.54% CHEMBL179648 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.12 -8.98 -8.98 45.76% CHEMBL4473518 Active 68.42%
ADRB2_HUMAN adrenoceptor beta 2 -8.58 -9.95 -9.58 47.62% CHEMBL513389 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.05 -8.62 -9.07 43.07% CHEMBL1201237 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.77 -8.43 -8.70 35.48% CHEMBL154057 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.25 -8.96 -8.83 21.68% CHEMBL553530 Inactive 88.32%
CALCR_HUMAN calcitonin receptor -7.77 -8.48 -8.17 19.62% CHEMBL4575327 Inactive 98.76%
CCKAR_HUMAN cholecystokinin A receptor -9.30 -8.41 -8.75 25.00% CHEMBL250974 Inactive 84.60%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.99 -8.44 -8.94 35.29% CHEMBL2391795 Inactive 80.74%
CCR2_HUMAN C-C motif chemokine receptor 2 -8.04 -8.41 -7.89 47.01% CHEMBL3754764 Inactive 52.22%
CCR4_HUMAN C-C motif chemokine receptor 4 -8.03 -7.26 -7.95 32.21% CHEMBL1907216 Inactive 51.49%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.30 -8.48 -8.57 32.96% CHEMBL2281967 Inactive 93.78%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.60 -9.05 -9.80 40.79% CHEMBL1213917 Inactive 80.84%
CNR1_HUMAN cannabinoid receptor 1 -8.39 -9.43 -9.64 100.00% CHEMBL465 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -10.12 -9.90 N/A 100.00% CHEMBL465 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.52 N/A N/A 25.00% CHEMBL220182 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.96 -7.38 -6.92 40.14% CHEMBL3645131 Inactive 53.16%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.70 -8.74 -8.74 37.65% CHEMBL3697086 Inactive 87.78%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.56 -7.90 -7.37 33.33% CHEMBL4440964 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.80 -8.71 -9.01 46.53% CHEMBL3966718 Active 70.73%
DRD2_HUMAN dopamine receptor D2 -8.14 N/A N/A 48.44% CHEMBL64553 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.64 N/A N/A 100.00% CHEMBL465 N/A N/A
DRD4_HUMAN dopamine receptor D4 -8.40 -8.37 N/A 48.44% CHEMBL64553 N/A N/A
DRD5_HUMAN dopamine receptor D5 -9.69 -8.73 -8.30 42.38% CHEMBL217299 Active 78.39%
EDNRA_HUMAN endothelin receptor type A -7.76 -7.73 -8.00 43.15% CHEMBL431651 Inactive 54.26%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -2.85 -2.40 3.85 21.95% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.09 -7.78 -7.00 39.67% CHEMBL452991 Inactive 74.57%
GRM1_HUMAN glutamate metabotropic receptor 1 -9.66 -9.65 -9.23 39.17% CHEMBL254372 Active 59.29%
GRM2_HUMAN glutamate metabotropic receptor 2 -5.55 -4.32 -4.78 45.04% CHEMBL186584 Active 60.08%
GRM3_HUMAN glutamate metabotropic receptor 3 -5.34 -6.63 -5.50 39.84% CHEMBL341457 Inactive 70.92%
GRM4_HUMAN glutamate metabotropic receptor 4 -0.33 -0.55 -0.51 30.92% CHEMBL2063423 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -9.16 -6.08 -5.61 44.35% CHEMBL1682820 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -9.06 -8.99 -8.73 15.62% CHEMBL2381641 Inactive 97.87%
GRM7_HUMAN glutamate metabotropic receptor 7 -3.02 -1.83 -2.32 36.76% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 0.13 0.32 2.05 36.76% CHEMBL432038 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -4.86 N/A N/A 41.60% CHEMBL1101 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.00 -8.79 -8.51 38.57% CHEMBL490632 Active 98.08%
HRH3_HUMAN histamine receptor H3 -7.95 -9.27 -9.10 52.07% CHEMBL2013048 Active 68.44%
HRH4_HUMAN histamine receptor H4 -9.34 -9.17 -9.42 34.21% CHEMBL4063170 Inactive 58.17%
MC3R_HUMAN melanocortin 3 receptor -9.03 -8.03 -7.40 25.67% CHEMBL192450 Inactive 68.61%
MC4R_HUMAN melanocortin 4 receptor -7.49 -7.46 -7.57 36.17% CHEMBL578944 Inactive 86.92%
MC5R_HUMAN melanocortin 5 receptor -6.55 -7.48 -5.36 26.06% CHEMBL3913861 Inactive 86.50%
MSHR_HUMAN melanocortin 1 receptor -8.57 -8.46 -9.26 28.29% CHEMBL442537 Inactive 67.45%
NK1R_HUMAN tachykinin receptor 1 -8.08 -8.33 -7.42 40.91% CHEMBL2112368 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.53 -8.16 -8.17 33.08% CHEMBL221753 Inactive 95.66%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.73 -7.10 -7.73 25.89% CHEMBL2001553 Inactive 92.70%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.38 -8.00 -8.09 23.43% CHEMBL2208334 Inactive 76.72%
NPSR1_HUMAN neuropeptide S receptor 1 -8.97 -9.67 -8.52 30.73% CHEMBL1801359 Inactive 58.75%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.64 -9.10 -8.97 40.19% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -8.14 -7.95 -7.93 40.19% CHEMBL3559801 Inactive 95.31%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.59 -8.64 -8.32 40.19% CHEMBL3559801 Inactive 83.43%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.06 -7.79 -7.73 61.54% CHEMBL469257 Active 91.96%
OPRD_HUMAN opioid receptor delta 1 -8.84 -7.11 -6.92 49.11% CHEMBL410907 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.46 -8.82 -8.44 49.11% CHEMBL410907 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -9.41 -8.31 -8.35 49.11% CHEMBL410907 Active 50.44%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.50 -8.28 -8.91 44.27% CHEMBL3262362 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.30 -9.24 -8.27 43.80% CHEMBL297624 Active 59.92%
TAAR1_HUMAN trace amine associated receptor 1 -9.35 -9.48 -9.65 38.12% CHEMBL1732597 Inactive 70.80%
TSHR_HUMAN thyroid stimulating hormone receptor -10.12 -10.09 -10.23 23.35% CHEMBL3897841 Inactive 82.08%
V1AR_HUMAN arginine vasopressin receptor 1A -8.68 -7.55 -9.09 33.72% CHEMBL430676 Inactive 88.18%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.73 -8.99 -8.23 18.45% CHEMBL4291903 N/A N/A