123 #295 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 -8.85 -8.09 -8.26 69.66% CHEMBL3321796 Active 90.36%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.36 -8.48 -9.08 60.00% CHEMBL361061 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.35 -7.88 -8.10 60.00% CHEMBL361061 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -7.70 -8.57 -8.93 40.91% CHEMBL105261 Active 57.75%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -9.11 -8.87 -9.18 60.00% CHEMBL361061 Active 95.63%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.08 -8.90 N/A 57.69% CHEMBL352194 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.81 -9.10 -9.38 56.67% CHEMBL3919861 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.49 -9.12 N/A 57.69% CHEMBL352194 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.88 -9.25 -8.54 44.20% CHEMBL2179582 Inactive 52.88%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -9.07 -7.18 -7.29 48.28% CHEMBL189262 Inactive 59.15%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.97 -8.53 -8.95 65.93% CHEMBL3260790 Active 97.44%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.48 -8.56 -8.39 70.45% CHEMBL3321797 Active 97.35%
AA1R_HUMAN adenosine A1 receptor -8.66 -8.83 -7.66 36.02% CHEMBL1095812 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.45 -8.09 -8.77 47.29% CHEMBL539454 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -9.21 -8.82 -8.53 34.19% CHEMBL32447 Inactive 58.86%
AA3R_HUMAN adenosine A3 receptor -5.86 -6.86 -8.54 45.05% CHEMBL11 Active 63.75%
ACM1_HUMAN cholinergic receptor muscarinic 1 -8.03 -2.80 N/A 73.91% CHEMBL1243110 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.57 -8.13 -8.73 82.93% CHEMBL86309 Active 97.99%
ACM3_HUMAN cholinergic receptor muscarinic 3 -9.17 -9.79 -9.57 82.93% CHEMBL86309 Active 98.73%
ACM4_HUMAN cholinergic receptor muscarinic 4 -8.29 -7.78 N/A 68.48% CHEMBL3354065 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -9.51 -9.27 -8.86 68.48% CHEMBL3354078 Active 65.06%
ACTHR_HUMAN melanocortin 2 receptor -10.41 -10.45 -8.96 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.28 -8.31 -8.28 68.48% CHEMBL4072818 Active 90.44%
ADA2A_HUMAN adrenoceptor alpha 2A -7.23 -8.09 -0.87 42.16% CHEMBL395110 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -8.84 -8.88 -8.19 52.88% CHEMBL279516 Active 81.79%
ADA2C_HUMAN adrenoceptor alpha 2C -4.13 -2.80 -0.40 52.88% CHEMBL279516 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -8.93 -8.96 -8.73 56.88% CHEMBL421030 Active 81.00%
ADRB2_HUMAN adrenoceptor beta 2 -7.73 -8.30 -9.28 54.72% CHEMBL1306990 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.12 -8.57 -8.32 56.88% CHEMBL421030 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -9.61 -9.85 -9.62 36.50% CHEMBL268815 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -9.21 -9.23 -8.98 51.02% CHEMBL109123 Active 65.15%
CALCR_HUMAN calcitonin receptor -7.86 -8.23 -9.03 32.28% CHEMBL2369895 Inactive 97.39%
CCKAR_HUMAN cholecystokinin A receptor -8.49 -8.06 -9.08 48.00% CHEMBL105619 Inactive 76.91%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.00 -7.83 -7.94 64.56% CHEMBL33761 Active 65.65%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.62 -7.89 -7.73 55.66% CHEMBL2036755 Active 54.61%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.46 -7.24 -8.91 42.22% CHEMBL395680 Inactive 58.24%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.01 -8.25 -8.72 78.16% CHEMBL3104691 Active 81.47%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.20 -9.18 -9.62 38.58% CHEMBL129866 Inactive 83.15%
CNR1_HUMAN cannabinoid receptor 1 -8.98 -9.23 -9.76 55.95% CHEMBL479095 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -9.18 -9.97 N/A 70.11% CHEMBL2338188 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -5.19 N/A N/A 31.10% CHEMBL561812 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.39 -7.15 -7.38 33.87% CHEMBL392181 Inactive 70.74%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.35 -9.08 -8.36 54.55% CHEMBL252503 Inactive 65.13%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.98 -6.61 -7.56 41.88% CHEMBL2371850 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.59 -8.19 -8.69 50.00% CHEMBL476108 Active 68.59%
DRD2_HUMAN dopamine receptor D2 -7.60 N/A N/A 70.79% CHEMBL4091231 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.25 N/A N/A 70.79% CHEMBL4091231 N/A N/A
DRD4_HUMAN dopamine receptor D4 -8.89 -8.94 N/A 70.79% CHEMBL4074104 N/A N/A
DRD5_HUMAN dopamine receptor D5 -8.29 -9.41 -8.16 52.25% CHEMBL394080 Active 82.89%
EDNRA_HUMAN endothelin receptor type A -7.71 -7.61 -7.60 38.19% CHEMBL1793932 Active 54.42%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -4.61 -5.28 3.34 21.48% CHEMBL392394 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.39 -8.17 -6.35 50.00% CHEMBL331929 Inactive 61.79%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.89 -9.87 -7.87 61.11% CHEMBL2418383 Active 71.16%
GRM2_HUMAN glutamate metabotropic receptor 2 -5.34 -4.15 -5.71 45.92% CHEMBL3221831 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -6.22 -7.46 -7.33 34.82% CHEMBL4095995 Inactive 85.17%
GRM4_HUMAN glutamate metabotropic receptor 4 -0.71 -0.77 -1.35 43.62% CHEMBL578358 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -8.50 -6.98 -7.52 47.52% CHEMBL2338572 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -5.95 -8.90 -6.14 41.67% CHEMBL2418359 Inactive 96.28%
GRM7_HUMAN glutamate metabotropic receptor 7 -4.32 -2.31 -3.24 30.14% CHEMBL3559748 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -3.84 -1.22 -2.73 41.67% CHEMBL2418359 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -8.53 N/A N/A 61.82% CHEMBL1242923 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.61 -9.49 -9.57 40.57% CHEMBL1627 Active 98.79%
HRH3_HUMAN histamine receptor H3 -7.81 -8.35 -8.00 65.91% CHEMBL3949244 Active 91.70%
HRH4_HUMAN histamine receptor H4 -7.79 -8.01 -8.15 43.69% CHEMBL4084275 Active 63.23%
MC3R_HUMAN melanocortin 3 receptor -8.28 -7.96 -8.11 46.97% CHEMBL1089104 Inactive 54.75%
MC4R_HUMAN melanocortin 4 receptor -7.16 -6.94 -6.98 54.70% CHEMBL379051 Inactive 62.01%
MC5R_HUMAN melanocortin 5 receptor -5.83 -8.10 -4.84 51.64% CHEMBL3951865 Inactive 58.07%
MSHR_HUMAN melanocortin 1 receptor -8.43 -8.34 -8.68 44.64% CHEMBL1091631 Inactive 62.32%
NK1R_HUMAN tachykinin receptor 1 -8.76 -8.19 -7.69 63.92% CHEMBL89245 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.78 -8.83 -8.61 50.82% CHEMBL108997 Inactive 87.51%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.84 -7.84 -7.86 32.11% CHEMBL1968640 Inactive 92.36%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.01 -7.75 -7.81 51.89% CHEMBL3361410 Inactive 63.71%
NPSR1_HUMAN neuropeptide S receptor 1 -8.62 -9.36 -8.70 43.48% CHEMBL1289780 Active 51.69%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.83 -9.08 -8.62 45.10% CHEMBL564810 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.84 -8.36 -7.63 73.03% CHEMBL1288048 Active 84.04%
NPY4R_HUMAN neuropeptide Y receptor Y4 -7.88 -8.57 -7.95 40.65% CHEMBL2110365 Inactive 70.68%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.78 -7.76 -7.49 59.81% CHEMBL2013017 Active 90.90%
OPRD_HUMAN opioid receptor delta 1 -8.18 -7.13 -7.16 100.00% CHEMBL12391 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.67 -8.24 -8.53 100.00% CHEMBL12391 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -9.55 -7.10 -7.72 100.00% CHEMBL12391 Active 99.99%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.55 -7.44 -7.63 80.00% CHEMBL317152 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.40 -7.89 -8.00 37.50% CHEMBL52821 Active 53.78%
TAAR1_HUMAN trace amine associated receptor 1 -8.92 -9.70 -9.02 65.98% CHEMBL1337758 Active 50.66%
TSHR_HUMAN thyroid stimulating hormone receptor -9.58 -9.77 -9.62 50.00% CHEMBL3908443 Inactive 81.62%
V1AR_HUMAN arginine vasopressin receptor 1A -8.01 -7.66 -8.61 50.00% CHEMBL1807258 Inactive 66.35%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.36 -8.69 -8.21 31.43% CHEMBL3884667 N/A N/A