yong1 #8 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 -6.93 -7.16 -6.44 27.23% CHEMBL180405 Inactive 74.90%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -7.84 -8.15 -6.89 19.22% CHEMBL442 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -7.34 -6.74 -6.96 20.79% CHEMBL151825 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -6.96 -7.89 -7.40 15.83% CHEMBL343755 Inactive 50.23%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -7.50 -7.83 -7.79 14.63% CHEMBL187928 Inactive 73.86%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.75 -8.01 N/A 37.68% CHEMBL1909065 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.40 -7.81 -7.13 37.68% CHEMBL1909065 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.28 -7.78 N/A 37.68% CHEMBL1909065 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -7.50 -7.56 -6.78 21.58% CHEMBL1632169 Inactive 81.14%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -7.59 -6.26 -6.80 19.22% CHEMBL442 Inactive 74.11%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -7.09 -7.29 -6.85 37.68% CHEMBL1909065 Inactive 54.53%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -7.53 -7.49 -7.67 26.63% CHEMBL487192 Inactive 68.61%
AA1R_HUMAN adenosine A1 receptor -7.05 -7.42 -5.85 22.49% CHEMBL608220 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -6.38 -6.69 -7.43 22.18% CHEMBL4089092 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -7.67 -8.33 -7.78 22.65% CHEMBL3091705 Inactive 82.21%
AA3R_HUMAN adenosine A3 receptor -5.67 -3.91 -7.04 52.76% CHEMBL1200633 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.71 -0.84 N/A 37.21% CHEMBL363895 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -7.81 -7.82 -7.76 37.21% CHEMBL363895 Inactive 60.07%
ACM3_HUMAN cholinergic receptor muscarinic 3 -7.99 -8.36 -8.09 33.77% CHEMBL58824 Inactive 62.46%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.27 -5.83 N/A 33.77% CHEMBL277642 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -7.43 -8.01 -8.07 33.77% CHEMBL277642 Active 82.18%
ACTHR_HUMAN melanocortin 2 receptor -7.98 -6.93 -7.46 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -7.74 -6.32 -7.45 37.68% CHEMBL1909065 Inactive 50.69%
ADA2A_HUMAN adrenoceptor alpha 2A 0.34 -2.53 1.15 37.68% CHEMBL1909065 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -8.22 -7.57 -5.98 37.68% CHEMBL1909065 Active 51.48%
ADA2C_HUMAN adrenoceptor alpha 2C -1.31 0.44 3.64 52.76% CHEMBL1200633 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -7.28 -7.15 -7.59 21.43% CHEMBL446840 Active 54.41%
ADRB2_HUMAN adrenoceptor beta 2 -7.30 -6.61 -8.10 25.00% CHEMBL1714856 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -8.32 -6.67 -7.55 21.43% CHEMBL1086536 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -6.93 -7.03 -6.76 19.53% CHEMBL507053 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -7.71 -7.32 -7.63 17.62% CHEMBL384617 Inactive 92.57%
CALCR_HUMAN calcitonin receptor -6.30 -6.80 -6.93 14.41% CHEMBL2369895 Inactive 97.03%
CCKAR_HUMAN cholecystokinin A receptor -7.08 -7.52 -7.55 15.69% CHEMBL332263 Inactive 98.69%
CCR1_HUMAN C-C motif chemokine receptor 1 -6.89 -7.29 -6.71 20.92% CHEMBL2178572 Inactive 98.50%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.51 -6.81 -6.41 28.85% CHEMBL3753178 Inactive 98.24%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.58 -7.31 -7.16 18.78% CHEMBL1621896 Inactive 76.75%
CCR5_HUMAN C-C motif chemokine receptor 5 -6.76 -7.00 -6.44 24.77% CHEMBL64322 Inactive 99.67%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.44 -7.87 -8.09 22.45% CHEMBL285954 Inactive 95.31%
CNR1_HUMAN cannabinoid receptor 1 -6.87 -7.29 -7.97 31.62% CHEMBL122972 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -7.15 -8.18 N/A 31.62% CHEMBL122972 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -3.34 N/A N/A 18.77% CHEMBL3906175 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.29 -7.16 -7.38 19.19% CHEMBL3645131 Inactive 75.13%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -7.82 -7.82 -7.43 21.74% CHEMBL244814 Inactive 98.58%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.66 -6.87 -6.95 40.17% CHEMBL1221944 N/A N/A
DRD1_HUMAN dopamine receptor D1 -7.20 -7.57 -8.69 20.46% CHEMBL1403281 Inactive 65.79%
DRD2_HUMAN dopamine receptor D2 -6.74 N/A N/A 37.68% CHEMBL1909065 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.75 N/A N/A 52.76% CHEMBL1200633 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.74 -7.82 N/A 24.38% CHEMBL2443008 N/A N/A
DRD5_HUMAN dopamine receptor D5 -7.57 -7.67 -6.82 16.17% CHEMBL1258223 Inactive 92.51%
EDNRA_HUMAN endothelin receptor type A -7.15 -6.62 -7.35 29.63% CHEMBL273948 Inactive 72.84%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 2.66 1.25 6.44 12.20% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -7.07 -7.25 -6.08 19.03% CHEMBL433028 Inactive 92.80%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.03 -6.82 -7.71 26.28% CHEMBL254372 Inactive 71.67%
GRM2_HUMAN glutamate metabotropic receptor 2 1.26 2.34 1.05 27.03% CHEMBL275079 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -2.82 -3.55 -5.42 27.03% CHEMBL275079 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 -0.00 2.48 0.41 18.47% CHEMBL1921961 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -7.33 -3.37 -4.10 20.30% CHEMBL3086720 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -4.93 -4.73 -5.12 27.03% CHEMBL275079 Inactive 95.67%
GRM7_HUMAN glutamate metabotropic receptor 7 -2.05 -0.25 -1.60 16.76% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 0.93 2.35 3.78 17.30% CHEMBL95868 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -4.63 N/A N/A 21.76% CHEMBL1101 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.00 -7.43 -7.17 16.48% CHEMBL1626 Active 61.79%
HRH3_HUMAN histamine receptor H3 -6.34 -7.77 -8.28 25.13% CHEMBL471555 Inactive 79.73%
HRH4_HUMAN histamine receptor H4 -7.50 -7.22 -7.91 19.57% CHEMBL1935450 Inactive 60.35%
MC3R_HUMAN melanocortin 3 receptor -6.78 -6.85 -6.27 18.67% CHEMBL380437 Inactive 82.65%
MC4R_HUMAN melanocortin 4 receptor -7.24 -5.93 -6.65 21.18% CHEMBL398932 Inactive 96.68%
MC5R_HUMAN melanocortin 5 receptor -5.25 -6.44 -4.12 17.17% CHEMBL380635 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -6.44 -6.59 -6.43 18.67% CHEMBL380437 Inactive 81.45%
NK1R_HUMAN tachykinin receptor 1 -7.69 -7.44 -7.03 27.23% CHEMBL420221 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -7.37 -7.34 -7.14 35.32% CHEMBL311857 Inactive 98.76%
NPBW1_HUMAN neuropeptides B and W receptor 1 -6.89 -7.54 -7.86 16.24% CHEMBL1989216 Inactive 96.06%
NPFF1_HUMAN neuropeptide FF receptor 1 -6.86 -7.30 -7.11 15.48% CHEMBL3746851 Inactive 93.79%
NPSR1_HUMAN neuropeptide S receptor 1 -7.64 -7.95 -7.36 15.42% CHEMBL1210411 Inactive 81.32%
NPY1R_HUMAN neuropeptide Y receptor Y1 -8.03 -8.06 -7.57 27.93% CHEMBL1223998 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -6.91 -7.27 -7.25 19.05% CHEMBL561577 Inactive 97.76%
NPY4R_HUMAN neuropeptide Y receptor Y4 -7.89 -7.86 -7.77 17.17% CHEMBL2440912 Inactive 54.74%
NPY5R_HUMAN neuropeptide Y receptor Y5 -7.47 -7.04 -7.11 26.00% CHEMBL508770 Inactive 96.02%
OPRD_HUMAN opioid receptor delta 1 -6.59 -6.55 -6.30 32.57% CHEMBL1743605 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -8.01 -6.70 -7.52 44.67% CHEMBL434746 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -7.02 -6.58 -6.42 35.83% CHEMBL1330 Inactive 91.69%
OPRX_HUMAN opioid related nociceptin receptor 1 -6.36 -6.20 -6.73 25.82% CHEMBL3262362 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -6.50 -6.00 -6.24 43.36% CHEMBL371569 Inactive 79.75%
TAAR1_HUMAN trace amine associated receptor 1 -8.33 -8.42 -7.53 32.74% CHEMBL2358935 Inactive 51.01%
TSHR_HUMAN thyroid stimulating hormone receptor -7.40 -7.54 -7.19 20.26% CHEMBL3897841 Inactive 95.53%
V1AR_HUMAN arginine vasopressin receptor 1A -6.98 -6.62 -7.11 27.52% CHEMBL251771 Inactive 95.19%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -7.19 -7.40 -7.28 13.23% CHEMBL3884667 N/A N/A