1 #492 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 -9.07 -8.36 -9.49 51.06% CHEMBL3104092 Active 70.19%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -10.02 -10.28 -10.02 51.06% CHEMBL3104092 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -9.86 -9.98 -10.05 51.06% CHEMBL3104092 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -9.44 -8.16 -9.44 35.50% CHEMBL4092027 Inactive 64.80%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -9.31 -10.13 -9.68 41.57% CHEMBL187928 Inactive 50.58%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -10.25 -10.32 N/A 55.62% CHEMBL592752 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -10.57 -10.71 -10.96 57.53% CHEMBL1110 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -10.19 -10.41 N/A 55.62% CHEMBL592752 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -10.81 -10.98 -10.00 49.16% CHEMBL4202791 Inactive 63.31%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -10.07 -8.39 -8.78 56.65% CHEMBL129476 Active 52.07%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -9.99 -9.98 -10.16 56.14% CHEMBL1783965 Active 91.85%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -9.57 -9.51 -9.54 55.62% CHEMBL592752 Active 89.65%
AA1R_HUMAN adenosine A1 receptor -9.97 -9.70 -8.43 48.57% CHEMBL371131 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -9.82 -9.55 -9.38 48.57% CHEMBL371131 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -9.03 -10.64 -9.80 37.50% CHEMBL469136 Inactive 58.95%
AA3R_HUMAN adenosine A3 receptor -3.73 -5.99 -7.59 41.60% CHEMBL349191 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.64 11.36 N/A 54.86% CHEMBL322251 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -10.98 -9.86 -8.82 54.86% CHEMBL322251 Active 64.62%
ACM3_HUMAN cholinergic receptor muscarinic 3 -9.43 -10.81 -10.56 45.25% CHEMBL148328 Active 61.44%
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.63 -8.34 N/A 46.52% CHEMBL4062718 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -11.09 -10.75 -9.29 45.95% CHEMBL3334991 Active 91.23%
ACTHR_HUMAN melanocortin 2 receptor -11.79 -11.93 -9.38 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -9.88 -8.74 -9.83 49.22% CHEMBL3104093 Active 78.00%
ADA2A_HUMAN adrenoceptor alpha 2A -3.24 -2.29 0.71 55.62% CHEMBL592752 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -11.26 -9.80 -9.56 47.94% CHEMBL3104091 Active 72.65%
ADA2C_HUMAN adrenoceptor alpha 2C -0.09 3.57 3.94 51.06% CHEMBL3104092 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.98 -10.25 -10.40 42.86% CHEMBL498304 Inactive 50.95%
ADRB2_HUMAN adrenoceptor beta 2 -10.73 -10.70 -11.33 42.33% CHEMBL236251 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -10.82 -10.64 -10.02 42.86% CHEMBL498304 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -10.05 -9.89 -9.82 44.66% CHEMBL2435833 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -10.51 -10.69 -10.47 38.91% CHEMBL25751 Inactive 53.99%
CALCR_HUMAN calcitonin receptor -9.01 -8.93 -9.08 30.17% CHEMBL4476595 Inactive 98.15%
CCKAR_HUMAN cholecystokinin A receptor -8.89 -8.35 -8.70 41.98% CHEMBL2372623 Inactive 79.89%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.97 -8.76 -8.39 55.33% CHEMBL2178572 Active 57.24%
CCR2_HUMAN C-C motif chemokine receptor 2 -8.24 -9.50 -8.78 63.31% CHEMBL2314058 Active 93.07%
CCR4_HUMAN C-C motif chemokine receptor 4 -8.31 -9.39 -9.91 45.91% CHEMBL2435852 Active 60.81%
CCR5_HUMAN C-C motif chemokine receptor 5 -9.31 -9.13 -9.16 60.12% CHEMBL595902 Active 80.24%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -9.77 -10.64 -10.34 39.47% CHEMBL423333 Inactive 69.89%
CNR1_HUMAN cannabinoid receptor 1 -9.70 -9.28 -8.68 67.30% CHEMBL1950342 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -10.67 -10.18 N/A 61.58% CHEMBL1950330 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -4.51 N/A N/A 34.45% CHEMBL3609013 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -9.47 -8.30 -7.81 34.45% CHEMBL3609013 Inactive 71.27%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -9.90 -9.30 -9.79 47.91% CHEMBL395745 Inactive 56.16%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -9.21 -7.52 -8.42 51.21% CHEMBL565749 N/A N/A
DRD1_HUMAN dopamine receptor D1 -9.91 -9.68 -9.87 49.71% CHEMBL1086789 Active 85.82%
DRD2_HUMAN dopamine receptor D2 -10.64 N/A N/A 55.62% CHEMBL592752 N/A N/A
DRD3_HUMAN dopamine receptor D3 -10.91 N/A N/A 51.52% CHEMBL85606 N/A N/A
DRD4_HUMAN dopamine receptor D4 -10.07 -9.84 N/A 50.85% CHEMBL1771114 N/A N/A
DRD5_HUMAN dopamine receptor D5 -8.94 -11.72 -9.68 47.94% CHEMBL3104091 Inactive 61.98%
EDNRA_HUMAN endothelin receptor type A -8.45 -7.63 -8.04 42.34% CHEMBL3752680 Active 52.79%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 8.13 -3.17 64.46 18.75% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -9.58 -9.41 -8.02 44.55% CHEMBL282732 Active 59.19%
GRM1_HUMAN glutamate metabotropic receptor 1 -9.81 -10.14 -8.80 38.89% CHEMBL233709 Inactive 51.40%
GRM2_HUMAN glutamate metabotropic receptor 2 -3.00 -4.29 0.41 42.78% CHEMBL3909273 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -6.24 -7.13 -8.86 44.55% CHEMBL4559100 Inactive 88.79%
GRM4_HUMAN glutamate metabotropic receptor 4 0.94 4.79 3.01 41.15% CHEMBL3797463 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -8.69 -6.78 -8.48 100.00% CHEMBL1779871 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -6.11 -8.79 -3.10 35.81% CHEMBL1585091 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -2.71 -3.48 -5.73 39.66% CHEMBL4443735 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 2.01 2.16 8.74 37.74% CHEMBL3560146 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -9.94 N/A N/A 56.14% CHEMBL1783965 N/A N/A
HRH2_HUMAN histamine receptor H2 -10.50 -9.14 -10.23 49.22% CHEMBL3104093 Active 98.21%
HRH3_HUMAN histamine receptor H3 -9.26 -9.30 -9.05 51.50% CHEMBL2031865 Active 73.11%
HRH4_HUMAN histamine receptor H4 -9.94 -9.18 -9.98 41.38% CHEMBL2047446 Inactive 54.82%
MC3R_HUMAN melanocortin 3 receptor -10.17 -9.41 -8.70 48.31% CHEMBL463047 Active 63.00%
MC4R_HUMAN melanocortin 4 receptor -7.94 -7.68 -9.27 48.31% CHEMBL463047 Active 71.51%
MC5R_HUMAN melanocortin 5 receptor -6.73 -9.23 -6.44 46.19% CHEMBL183799 Inactive 69.28%
MSHR_HUMAN melanocortin 1 receptor -9.25 -7.96 -9.85 48.31% CHEMBL463047 Active 50.61%
NK1R_HUMAN tachykinin receptor 1 -8.74 -9.52 -9.13 50.90% CHEMBL295122 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -9.86 -9.99 -10.45 49.72% CHEMBL379097 Active 82.78%
NPBW1_HUMAN neuropeptides B and W receptor 1 -8.50 -8.13 -8.05 30.29% CHEMBL1705499 Inactive 89.18%
NPFF1_HUMAN neuropeptide FF receptor 1 -9.32 -9.33 -8.52 40.31% CHEMBL2208312 Inactive 61.31%
NPSR1_HUMAN neuropeptide S receptor 1 -9.59 -10.64 -9.74 41.76% CHEMBL1210177 Active 74.50%
NPY1R_HUMAN neuropeptide Y receptor Y1 -10.88 -10.81 -10.11 39.91% CHEMBL124343 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -9.46 -9.37 -9.10 39.76% CHEMBL437487 Inactive 55.60%
NPY4R_HUMAN neuropeptide Y receptor Y4 -9.07 -9.65 -9.32 34.98% CHEMBL4641831 Inactive 99.28%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.46 -9.18 -8.75 43.09% CHEMBL42437 Inactive 53.39%
OPRD_HUMAN opioid receptor delta 1 -9.02 -6.49 -8.25 55.74% CHEMBL2347239 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -10.07 -9.64 -10.32 55.74% CHEMBL2347239 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -9.34 -8.02 -8.63 55.74% CHEMBL2347239 Active 55.59%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.79 -8.74 -8.81 55.32% CHEMBL3349268 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -10.02 -9.75 -10.07 44.32% CHEMBL294706 Active 63.91%
TAAR1_HUMAN trace amine associated receptor 1 -9.69 -10.15 -9.99 59.28% CHEMBL1872433 Active 68.48%
TSHR_HUMAN thyroid stimulating hormone receptor -10.64 -10.74 -10.28 36.22% CHEMBL3983689 Active 54.26%
V1AR_HUMAN arginine vasopressin receptor 1A -9.30 -9.73 -9.68 49.17% CHEMBL3416864 Active 57.90%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -10.13 -8.76 -10.22 31.50% CHEMBL3736230 N/A N/A