MM-24 #12 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 -8.46 -8.60 -7.87 30.21% CHEMBL3656920 Inactive 67.67%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -9.11 -8.90 -8.57 23.65% CHEMBL605785 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.87 -8.51 -8.20 23.60% CHEMBL110318 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -8.23 -9.19 -8.48 14.62% CHEMBL29410 Inactive 68.26%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -8.86 -8.92 -8.71 17.96% CHEMBL105091 Inactive 81.25%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.56 -8.00 N/A 29.14% CHEMBL1909065 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.13 -8.74 -8.76 30.00% CHEMBL1629810 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.18 -8.52 N/A 30.00% CHEMBL1629810 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -9.35 -8.95 -9.00 27.27% CHEMBL2152922 Inactive 77.77%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -9.66 -7.80 -7.62 18.89% CHEMBL538029 Inactive 91.58%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.68 -8.77 -8.63 29.14% CHEMBL1909065 Active 55.38%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.96 -8.27 -8.60 22.58% CHEMBL2401935 Inactive 75.06%
AA1R_HUMAN adenosine A1 receptor -8.23 -7.91 -7.86 26.40% CHEMBL1990267 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.45 -7.41 -8.43 29.50% CHEMBL2042062 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -9.01 -9.28 -8.53 26.40% CHEMBL1990267 Inactive 58.26%
AA3R_HUMAN adenosine A3 receptor -6.53 -0.92 -7.89 41.85% CHEMBL76273 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.26 -0.64 N/A 26.52% CHEMBL490 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.40 -8.60 -6.52 26.52% CHEMBL490 Inactive 74.40%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.70 -8.95 -8.92 26.52% CHEMBL490 Inactive 70.50%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.48 -7.69 N/A 26.52% CHEMBL490 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -7.36 -7.94 -9.14 26.52% CHEMBL490 Active 69.23%
ACTHR_HUMAN melanocortin 2 receptor -7.43 -8.04 -7.87 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.55 -7.13 -8.31 29.14% CHEMBL1909065 Inactive 63.47%
ADA2A_HUMAN adrenoceptor alpha 2A 0.38 -2.00 1.46 29.14% CHEMBL1909065 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -9.36 -8.65 -8.60 29.14% CHEMBL1909065 Active 65.54%
ADA2C_HUMAN adrenoceptor alpha 2C 2.20 4.77 6.30 29.14% CHEMBL1909065 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.60 -8.93 -9.58 24.74% CHEMBL459862 Inactive 63.06%
ADRB2_HUMAN adrenoceptor beta 2 -8.38 -8.67 -9.38 27.23% CHEMBL1545591 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.19 -8.94 -8.99 24.74% CHEMBL459862 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -7.83 -8.41 -8.02 18.61% CHEMBL215160 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.04 -8.55 -9.01 23.11% CHEMBL41446 Inactive 87.73%
CALCR_HUMAN calcitonin receptor -7.99 -8.32 -8.34 16.91% CHEMBL2369886 Inactive 98.71%
CCKAR_HUMAN cholecystokinin A receptor -8.03 -7.85 -8.26 18.18% CHEMBL1774037 Inactive 97.38%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.41 -8.51 -7.53 28.29% CHEMBL3099955 Inactive 96.47%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.21 -7.51 -7.03 23.91% CHEMBL3263272 Inactive 95.40%
CCR4_HUMAN C-C motif chemokine receptor 4 -8.23 -8.58 -9.00 29.21% CHEMBL605581 Inactive 71.26%
CCR5_HUMAN C-C motif chemokine receptor 5 -7.27 -7.43 -7.30 26.32% CHEMBL1078712 Inactive 99.58%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -9.31 -9.37 -8.82 32.10% CHEMBL1213920 Inactive 82.20%
CNR1_HUMAN cannabinoid receptor 1 -7.47 -7.86 -9.08 31.71% CHEMBL1923760 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -8.36 -9.16 N/A 33.95% CHEMBL3410729 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -3.41 N/A N/A 17.94% CHEMBL518030 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.78 -8.65 -7.83 21.72% CHEMBL3645131 Inactive 54.64%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.95 -8.71 -8.77 23.47% CHEMBL3956593 Inactive 94.24%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.77 -7.21 -7.86 19.41% CHEMBL1221944 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.43 -8.76 -9.35 23.83% CHEMBL182379 Inactive 62.82%
DRD2_HUMAN dopamine receptor D2 -7.58 N/A N/A 29.14% CHEMBL1909065 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.96 N/A N/A 29.14% CHEMBL1909065 N/A N/A
DRD4_HUMAN dopamine receptor D4 -9.04 -9.13 N/A 26.61% CHEMBL196476 N/A N/A
DRD5_HUMAN dopamine receptor D5 -7.60 -9.71 -8.93 20.35% CHEMBL1258223 Inactive 74.10%
EDNRA_HUMAN endothelin receptor type A -7.24 -7.05 -7.87 29.79% CHEMBL431651 Inactive 75.10%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -0.06 0.78 21.51 11.90% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -7.93 -7.64 -7.27 25.86% CHEMBL452991 Inactive 84.54%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.84 -8.71 -8.53 21.08% CHEMBL174588 Inactive 68.77%
GRM2_HUMAN glutamate metabotropic receptor 2 0.54 -1.98 0.19 27.12% CHEMBL186584 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -2.93 -3.70 -4.68 23.84% CHEMBL3955458 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 5.92 8.38 7.39 24.80% CHEMBL4105462 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -6.51 -6.89 -6.77 23.12% CHEMBL1348198 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -2.67 -5.21 -2.62 17.68% CHEMBL275079 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -1.91 -1.75 0.12 18.47% CHEMBL3560393 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 0.42 -1.58 1.93 18.47% CHEMBL3560393 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -8.12 N/A N/A 25.50% CHEMBL62312 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.85 -8.56 -8.42 21.23% CHEMBL107293 Active 77.94%
HRH3_HUMAN histamine receptor H3 -7.50 -8.31 -8.49 30.30% CHEMBL207231 Inactive 69.07%
HRH4_HUMAN histamine receptor H4 -8.74 -8.45 -9.06 20.44% CHEMBL1934062 Inactive 75.82%
MC3R_HUMAN melanocortin 3 receptor -8.06 -7.40 -7.42 18.06% CHEMBL377620 Inactive 83.61%
MC4R_HUMAN melanocortin 4 receptor -7.64 -6.33 -7.22 22.04% CHEMBL578944 Inactive 91.67%
MC5R_HUMAN melanocortin 5 receptor -6.19 -7.63 -6.00 18.06% CHEMBL3935253 Inactive 77.54%
MSHR_HUMAN melanocortin 1 receptor -7.49 -6.98 -7.30 20.00% CHEMBL1682208 Inactive 80.28%
NK1R_HUMAN tachykinin receptor 1 -8.98 -8.85 -7.64 28.43% CHEMBL420221 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -7.81 -7.91 -7.66 28.05% CHEMBL1083847 Inactive 99.20%
NPBW1_HUMAN neuropeptides B and W receptor 1 -8.11 -8.36 -8.67 21.30% CHEMBL2314298 Inactive 91.29%
NPFF1_HUMAN neuropeptide FF receptor 1 -7.73 -7.87 -8.03 15.17% CHEMBL3361420 Inactive 85.96%
NPSR1_HUMAN neuropeptide S receptor 1 -9.12 -9.93 -9.87 20.90% CHEMBL3085788 Inactive 64.80%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.27 -8.81 -8.71 29.37% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.84 -7.75 -7.22 29.37% CHEMBL3559801 Inactive 97.35%
NPY4R_HUMAN neuropeptide Y receptor Y4 -9.35 -9.12 -8.19 29.37% CHEMBL3559801 Inactive 92.45%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.06 -7.81 -7.57 29.37% CHEMBL3559801 Inactive 90.93%
OPRD_HUMAN opioid receptor delta 1 -7.52 -7.16 -7.12 30.57% CHEMBL3678971 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -8.98 -8.21 -8.45 32.87% CHEMBL4111049 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.04 -7.43 -8.14 32.87% CHEMBL4113162 Inactive 87.32%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.41 -7.16 -7.91 29.00% CHEMBL3581762 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.13 -6.88 -7.24 29.89% CHEMBL2304166 Inactive 69.16%
TAAR1_HUMAN trace amine associated receptor 1 -8.51 -9.42 -8.78 25.49% CHEMBL1732597 Inactive 77.04%
TSHR_HUMAN thyroid stimulating hormone receptor -8.33 -8.57 -7.43 21.65% CHEMBL1370580 Inactive 96.04%
V1AR_HUMAN arginine vasopressin receptor 1A -8.05 -8.60 -8.30 22.38% CHEMBL1085301 Inactive 91.61%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.30 -7.84 -8.14 15.08% CHEMBL483749 N/A N/A