li's #488 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 -6.88 -6.34 -7.09 36.00% CHEMBL2164331 Inactive 65.46%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -7.52 -7.49 -7.43 28.00% CHEMBL2112766 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -7.15 -7.35 -8.34 30.00% CHEMBL139438 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -6.50 -6.96 -6.41 17.48% CHEMBL4210782 Inactive 61.48%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -7.53 -7.61 -7.75 17.39% CHEMBL39 Inactive 70.42%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.88 -7.59 N/A 35.29% CHEMBL471839 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.36 -7.23 -7.46 35.29% CHEMBL471839 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.53 -7.81 N/A 35.29% CHEMBL471839 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.17 -8.22 -7.55 17.39% CHEMBL39 Inactive 89.88%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -7.62 -6.89 -7.64 33.96% CHEMBL494675 Inactive 57.62%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -7.03 -6.64 -7.11 34.62% CHEMBL556759 Inactive 55.75%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -6.58 -7.29 -7.04 45.00% CHEMBL234885 Active 55.66%
AA1R_HUMAN adenosine A1 receptor -7.37 -7.86 -7.73 28.12% CHEMBL283196 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.90 -7.65 -7.64 27.69% CHEMBL261185 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -6.65 -6.94 -6.09 20.93% CHEMBL376778 Inactive 57.75%
AA3R_HUMAN adenosine A3 receptor -8.41 -7.52 -7.15 29.03% CHEMBL2312728 Active 64.64%
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.80 -8.75 N/A 26.00% CHEMBL657 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -7.28 -6.44 -7.70 26.00% CHEMBL657 Inactive 63.64%
ACM3_HUMAN cholinergic receptor muscarinic 3 -6.21 -7.20 -7.98 30.51% CHEMBL494410 Inactive 60.91%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.98 -7.71 N/A 26.00% CHEMBL657 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -7.36 -7.30 -7.45 26.00% CHEMBL657 Active 57.50%
ACTHR_HUMAN melanocortin 2 receptor -9.16 -8.89 -7.29 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -6.65 -6.63 -6.59 25.00% CHEMBL648 Active 51.19%
ADA2A_HUMAN adrenoceptor alpha 2A -7.77 -7.36 -5.54 29.27% CHEMBL61006 Active 69.10%
ADA2B_HUMAN adrenoceptor alpha 2B -8.30 -8.10 -7.79 26.09% CHEMBL972 Active 54.50%
ADA2C_HUMAN adrenoceptor alpha 2C -4.90 -4.83 -4.91 24.00% CHEMBL1437 Inactive 54.49%
ADRB1_HUMAN adrenoceptor beta 1 -6.98 -7.45 -7.43 30.51% CHEMBL1621144 Active 61.67%
ADRB2_HUMAN adrenoceptor beta 2 -6.98 -8.16 -7.85 33.96% CHEMBL4062049 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -7.68 -8.23 -7.62 29.03% CHEMBL507003 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -7.50 -7.70 -7.55 16.36% CHEMBL290286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -7.13 -7.93 -7.54 18.75% CHEMBL121565 Inactive 92.96%
CALCR_HUMAN calcitonin receptor -6.80 -6.58 -6.82 8.16% CHEMBL2369895 Inactive 97.34%
CCKAR_HUMAN cholecystokinin A receptor -7.07 -6.95 -7.95 16.67% CHEMBL1210154 Inactive 98.80%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.70 -8.08 -6.61 21.43% CHEMBL2205805 Inactive 98.29%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.13 -6.85 -6.50 24.00% CHEMBL18442 Inactive 97.24%
CCR4_HUMAN C-C motif chemokine receptor 4 -5.94 -6.33 -6.91 15.79% CHEMBL1618631 Inactive 89.25%
CCR5_HUMAN C-C motif chemokine receptor 5 -6.78 -6.81 -7.00 22.22% CHEMBL106264 Inactive 99.74%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -6.84 -7.46 -8.01 13.85% CHEMBL33329 Inactive 96.95%
CNR1_HUMAN cannabinoid receptor 1 -7.22 -7.43 -8.22 37.50% CHEMBL3915185 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -8.21 -8.33 N/A 38.30% CHEMBL32362 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.23 N/A N/A 18.75% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.29 -5.66 -5.83 18.75% CHEMBL191413 Inactive 67.31%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -7.81 -7.55 -7.64 29.03% CHEMBL2181446 Inactive 98.13%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.98 -5.85 -6.84 24.00% CHEMBL18442 N/A N/A
DRD1_HUMAN dopamine receptor D1 -7.60 -7.07 -7.38 30.77% CHEMBL441343 Inactive 75.08%
DRD2_HUMAN dopamine receptor D2 -8.09 N/A N/A 28.57% CHEMBL59 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.13 N/A N/A 30.51% CHEMBL484204 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.15 -7.25 N/A 28.57% CHEMBL59 N/A N/A
DRD5_HUMAN dopamine receptor D5 -7.15 -7.96 -7.64 28.57% CHEMBL59 Inactive 82.39%
EDNRA_HUMAN endothelin receptor type A -5.39 -5.87 -6.11 20.45% CHEMBL414408 Inactive 90.96%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -7.04 -6.97 -7.46 11.21% CHEMBL2391908 Inactive 92.73%
GASR_HUMAN cholecystokinin B receptor -6.52 -6.52 -5.54 13.95% CHEMBL38874 Inactive 95.35%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.77 -7.73 -7.61 20.45% CHEMBL1269125 Inactive 77.61%
GRM2_HUMAN glutamate metabotropic receptor 2 -7.60 -8.66 -8.05 26.09% CHEMBL4634600 Inactive 51.79%
GRM3_HUMAN glutamate metabotropic receptor 3 -9.26 -9.53 -9.25 19.67% CHEMBL2112584 Inactive 66.25%
GRM4_HUMAN glutamate metabotropic receptor 4 -5.95 -5.77 -5.93 17.78% CHEMBL2022867 Inactive 90.65%
GRM5_HUMAN glutamate metabotropic receptor 5 -7.72 -9.44 -9.45 26.09% CHEMBL371811 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -7.89 -8.15 -7.71 16.22% CHEMBL566136 Inactive 98.11%
GRM7_HUMAN glutamate metabotropic receptor 7 -6.76 -6.52 -7.42 25.53% CHEMBL1387826 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -6.42 -7.29 -7.01 17.14% CHEMBL277475 Inactive 98.71%
HRH1_HUMAN histamine receptor H1 -7.87 N/A N/A 28.57% CHEMBL47482 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.00 -7.92 -8.99 20.69% CHEMBL2207641 Active 78.51%
HRH3_HUMAN histamine receptor H3 -7.40 -6.57 -6.67 56.25% CHEMBL209478 Active 87.58%
HRH4_HUMAN histamine receptor H4 -6.81 -6.72 -6.64 25.35% CHEMBL4100315 Active 56.00%
MC3R_HUMAN melanocortin 3 receptor -8.03 -7.39 -7.23 14.63% CHEMBL460142 Inactive 84.89%
MC4R_HUMAN melanocortin 4 receptor -5.80 -5.87 -6.39 27.27% CHEMBL195009 Inactive 83.83%
MC5R_HUMAN melanocortin 5 receptor -6.05 -7.55 -6.51 19.35% CHEMBL3964883 Inactive 50.36%
MSHR_HUMAN melanocortin 1 receptor -7.28 -6.71 -6.93 16.22% CHEMBL267020 Inactive 75.24%
NK1R_HUMAN tachykinin receptor 1 -6.88 -7.60 -6.63 32.73% CHEMBL206490 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -7.35 -7.17 -7.10 19.35% CHEMBL17157 Inactive 99.16%
NPBW1_HUMAN neuropeptides B and W receptor 1 -6.47 -6.03 -6.48 14.06% CHEMBL1991452 Inactive 95.59%
NPFF1_HUMAN neuropeptide FF receptor 1 -6.63 -6.25 -6.42 21.05% CHEMBL573297 Inactive 85.84%
NPSR1_HUMAN neuropeptide S receptor 1 -6.65 -7.87 -6.47 18.56% CHEMBL1289780 Inactive 79.71%
NPY1R_HUMAN neuropeptide Y receptor Y1 -7.61 -7.57 -6.97 21.05% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -6.80 -6.37 -6.37 21.05% CHEMBL3559801 Inactive 85.78%
NPY4R_HUMAN neuropeptide Y receptor Y4 -6.73 -6.63 -6.26 21.05% CHEMBL3559801 Active 91.43%
NPY5R_HUMAN neuropeptide Y receptor Y5 -6.56 -6.64 -6.47 26.67% CHEMBL327027 Inactive 91.53%
OPRD_HUMAN opioid receptor delta 1 -7.25 -6.14 -6.31 23.53% CHEMBL127346 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -7.60 -7.49 -7.36 26.67% CHEMBL4073160 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -7.31 -6.23 -6.56 26.67% CHEMBL1188090 Inactive 91.27%
OPRX_HUMAN opioid related nociceptin receptor 1 -6.42 -6.36 -6.32 22.22% CHEMBL53256 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.88 -8.18 -8.30 19.78% CHEMBL416120 Inactive 76.35%
TAAR1_HUMAN trace amine associated receptor 1 -7.59 -7.20 -7.27 41.38% CHEMBL610 Active 83.20%
TSHR_HUMAN thyroid stimulating hormone receptor -7.63 -7.54 -7.65 11.93% CHEMBL3982371 Inactive 96.91%
V1AR_HUMAN arginine vasopressin receptor 1A -7.06 -6.31 -7.99 26.09% CHEMBL1083095 Inactive 93.20%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -6.52 -6.36 -6.76 13.24% CHEMBL1784685 N/A N/A