A #486 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 -9.30 -7.64 -8.20 100.00% CHEMBL2028019 Active 99.99%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -9.67 -10.10 -9.10 45.69% CHEMBL370128 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -9.15 -9.41 -8.54 72.16% CHEMBL1085672 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -8.48 -8.91 -9.30 31.52% CHEMBL29410 Inactive 66.40%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -8.71 -9.47 -9.32 36.81% CHEMBL186951 Active 54.14%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -10.04 -9.64 N/A 100.00% CHEMBL2028019 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.84 -9.93 -9.37 60.00% CHEMBL209254 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -9.08 -9.70 N/A 60.00% CHEMBL209254 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -10.38 -9.37 -9.36 37.41% CHEMBL539651 Active 52.02%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -9.43 -8.58 -9.18 46.73% CHEMBL3764335 Active 50.86%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -9.01 -9.38 -8.45 77.78% CHEMBL4639203 Active 98.92%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -9.48 -9.70 -8.67 100.00% CHEMBL2028019 Active 99.99%
AA1R_HUMAN adenosine A1 receptor -8.28 -9.08 -7.96 30.43% CHEMBL329774 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -8.95 -9.25 -8.59 34.23% CHEMBL539454 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.65 -9.98 -8.50 32.61% CHEMBL4441276 Inactive 53.95%
AA3R_HUMAN adenosine A3 receptor -2.82 -1.89 -6.67 30.98% CHEMBL4460114 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.57 6.28 N/A 70.79% CHEMBL256202 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -9.52 -8.74 -6.13 44.74% CHEMBL310132 Active 68.29%
ACM3_HUMAN cholinergic receptor muscarinic 3 -9.24 -10.06 -9.62 49.52% CHEMBL1094003 Active 65.06%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.16 -7.79 N/A 38.02% CHEMBL728 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -9.70 -10.42 -9.29 43.80% CHEMBL1090094 Active 78.77%
ACTHR_HUMAN melanocortin 2 receptor -9.43 -9.60 -7.70 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -9.01 -8.31 -9.13 73.91% CHEMBL56438 Active 86.03%
ADA2A_HUMAN adrenoceptor alpha 2A 2.98 4.62 4.61 45.61% CHEMBL1221593 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -9.67 -8.11 -7.17 40.38% CHEMBL51358 Active 62.86%
ADA2C_HUMAN adrenoceptor alpha 2C 2.50 6.87 10.71 42.96% CHEMBL1112 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.70 -9.73 -9.26 61.54% CHEMBL1424807 Active 86.61%
ADRB2_HUMAN adrenoceptor beta 2 -8.20 -8.89 -9.26 54.95% CHEMBL417709 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.87 -10.24 -9.72 39.45% CHEMBL155072 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.86 -9.19 -8.81 38.21% CHEMBL290829 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -10.03 -10.08 -10.06 52.25% CHEMBL110652 Active 89.32%
CALCR_HUMAN calcitonin receptor -8.18 -8.25 -8.39 30.95% CHEMBL4462020 Inactive 98.39%
CCKAR_HUMAN cholecystokinin A receptor -7.99 -7.97 -8.63 45.74% CHEMBL357983 Inactive 88.31%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.25 -8.71 -8.22 61.70% CHEMBL2398758 Active 53.64%
CCR2_HUMAN C-C motif chemokine receptor 2 -8.48 -9.05 -8.31 57.84% CHEMBL2036748 Active 88.79%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.72 -7.85 -9.10 38.31% CHEMBL600805 Inactive 61.18%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.13 -7.93 -8.62 53.51% CHEMBL3398002 Inactive 80.89%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.87 -9.62 -9.28 23.28% CHEMBL3342954 Inactive 83.33%
CNR1_HUMAN cannabinoid receptor 1 -8.78 -9.12 -10.19 59.26% CHEMBL3799603 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -9.12 -9.85 N/A 51.00% CHEMBL2338177 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 3.16 N/A N/A 28.26% CHEMBL386072 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.44 -7.62 -7.76 40.29% CHEMBL4103634 Inactive 60.81%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -9.12 -9.58 -8.50 52.17% CHEMBL583655 Inactive 59.64%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.74 -7.04 -8.07 37.62% CHEMBL2347625 N/A N/A
DRD1_HUMAN dopamine receptor D1 -9.12 -8.91 -9.99 51.49% CHEMBL1940408 Active 70.83%
DRD2_HUMAN dopamine receptor D2 -8.83 N/A N/A 100.00% CHEMBL2028019 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.72 N/A N/A 100.00% CHEMBL2028019 N/A N/A
DRD4_HUMAN dopamine receptor D4 -9.72 -9.59 N/A 100.00% CHEMBL2028019 N/A N/A
DRD5_HUMAN dopamine receptor D5 -8.55 -10.46 -8.98 45.00% CHEMBL238718 Active 69.46%
EDNRA_HUMAN endothelin receptor type A -7.71 -8.05 -7.17 33.96% CHEMBL170121 Active 57.36%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 13.56 0.63 22.57 19.33% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.69 -8.13 -7.32 54.84% CHEMBL317108 Active 59.21%
GRM1_HUMAN glutamate metabotropic receptor 1 -9.05 -10.06 -8.29 49.52% CHEMBL2397378 Active 57.51%
GRM2_HUMAN glutamate metabotropic receptor 2 5.71 5.01 4.95 41.60% CHEMBL1097052 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -2.89 -3.42 -6.94 30.83% CHEMBL4447269 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 5.07 6.85 10.53 51.04% CHEMBL578358 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -8.68 -5.83 -7.14 45.79% CHEMBL1688366 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -1.47 -5.01 -0.91 41.74% CHEMBL2418359 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -3.19 0.54 -2.26 38.89% CHEMBL4575681 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 5.35 3.29 7.88 41.74% CHEMBL2418359 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -8.84 N/A N/A 47.75% CHEMBL476935 N/A N/A
HRH2_HUMAN histamine receptor H2 -10.54 -9.85 -9.74 36.81% CHEMBL4562437 Active 98.75%
HRH3_HUMAN histamine receptor H3 -8.17 -8.94 -8.94 75.29% CHEMBL489590 Active 98.43%
HRH4_HUMAN histamine receptor H4 -9.13 -8.37 -8.88 53.27% CHEMBL1223683 Active 79.26%
MC3R_HUMAN melanocortin 3 receptor -9.21 -8.87 -8.08 44.26% CHEMBL1762009 Inactive 52.03%
MC4R_HUMAN melanocortin 4 receptor -7.27 -7.25 -7.62 49.22% CHEMBL197278 Inactive 60.69%
MC5R_HUMAN melanocortin 5 receptor -5.66 -8.44 -5.02 44.26% CHEMBL1762009 Inactive 67.75%
MSHR_HUMAN melanocortin 1 receptor -8.25 -7.41 -7.96 44.26% CHEMBL1762009 Inactive 65.22%
NK1R_HUMAN tachykinin receptor 1 -8.96 -8.78 -8.85 55.17% CHEMBL345866 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -9.13 -9.21 -9.00 44.53% CHEMBL3651891 Inactive 81.62%
NPBW1_HUMAN neuropeptides B and W receptor 1 -8.89 -8.51 -8.15 33.91% CHEMBL1940354 Inactive 84.10%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.83 -8.12 -8.31 52.89% CHEMBL3361421 Active 59.19%
NPSR1_HUMAN neuropeptide S receptor 1 -8.94 -9.53 -8.71 31.94% CHEMBL1210177 Inactive 59.18%
NPY1R_HUMAN neuropeptide Y receptor Y1 -10.18 -9.23 -9.45 47.17% CHEMBL2046860 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.90 -8.46 -8.16 60.00% CHEMBL560914 Inactive 59.35%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.58 -9.14 -8.70 35.38% CHEMBL4456247 Inactive 94.82%
NPY5R_HUMAN neuropeptide Y receptor Y5 -9.15 -8.73 -8.81 51.85% CHEMBL255352 Active 73.80%
OPRD_HUMAN opioid receptor delta 1 -7.82 -6.87 -8.26 46.40% CHEMBL401451 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.60 -8.65 -9.09 69.23% CHEMBL254154 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.80 -8.64 -7.77 51.40% CHEMBL240001 Inactive 56.35%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.28 -7.89 -8.03 55.96% CHEMBL1762372 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.37 -8.32 -8.97 28.57% CHEMBL345902 Inactive 70.49%
TAAR1_HUMAN trace amine associated receptor 1 -9.40 -9.70 -9.10 41.18% CHEMBL1391385 Inactive 75.79%
TSHR_HUMAN thyroid stimulating hormone receptor -10.35 -10.52 -10.22 34.59% CHEMBL3911383 Inactive 67.20%
V1AR_HUMAN arginine vasopressin receptor 1A -8.31 -8.52 -8.98 43.80% CHEMBL318392 Inactive 62.30%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.09 -7.86 -8.30 26.70% CHEMBL4284839 N/A N/A