test1 #67 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 -8.22 -8.30 -7.93 40.13% CHEMBL252258 Active 53.51%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.73 -8.80 -8.03 30.26% CHEMBL2113350 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.80 -7.71 -9.01 32.04% CHEMBL343755 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -8.38 -9.14 -8.56 32.04% CHEMBL343755 Inactive 64.89%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -8.52 -8.52 -8.48 21.71% CHEMBL432713 Inactive 68.92%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.87 -9.14 N/A 38.57% CHEMBL1277935 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.95 -8.70 -9.15 33.51% CHEMBL1065 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.45 -8.92 N/A 38.57% CHEMBL1277935 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -9.07 -8.66 -8.34 31.45% CHEMBL3759546 Inactive 74.11%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.90 -6.92 -7.46 34.81% CHEMBL97518 Inactive 61.86%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -7.70 -8.12 -8.18 34.81% CHEMBL97518 Active 64.65%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.18 -8.38 -8.35 37.76% CHEMBL239897 Active 50.74%
AA1R_HUMAN adenosine A1 receptor -8.47 -8.16 -7.70 29.73% CHEMBL329774 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.70 -8.14 -8.78 30.22% CHEMBL2153614 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.59 -8.62 -8.06 24.74% CHEMBL440115 Inactive 76.88%
AA3R_HUMAN adenosine A3 receptor -6.54 -3.12 -7.35 39.81% CHEMBL275040 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -6.61 5.77 N/A 53.21% CHEMBL301670 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.64 -8.23 -6.32 53.21% CHEMBL301670 Active 63.08%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.70 -8.79 -9.62 53.21% CHEMBL58824 Active 74.16%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.74 -7.60 N/A 53.21% CHEMBL277642 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -7.91 -7.28 -8.61 53.21% CHEMBL277642 Active 79.59%
ACTHR_HUMAN melanocortin 2 receptor -9.29 -9.00 -8.43 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.59 -7.27 -8.77 34.01% CHEMBL12127 Inactive 63.94%
ADA2A_HUMAN adrenoceptor alpha 2A -0.65 0.31 2.55 41.49% CHEMBL191703 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -9.39 -9.02 -8.65 33.33% CHEMBL1201356 Active 58.97%
ADA2C_HUMAN adrenoceptor alpha 2C 2.30 5.02 6.08 47.57% CHEMBL451821 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.01 -7.99 -9.01 32.61% CHEMBL1085009 Inactive 70.75%
ADRB2_HUMAN adrenoceptor beta 2 -8.04 -7.65 -8.25 34.27% CHEMBL1714856 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.18 -9.14 -9.12 29.14% CHEMBL3746280 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.12 -7.61 -7.82 25.47% CHEMBL3350599 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -8.29 -8.41 -7.82 31.90% CHEMBL109172 Inactive 85.78%
CALCR_HUMAN calcitonin receptor -7.51 -7.83 -7.69 29.78% CHEMBL2369895 Inactive 98.41%
CCKAR_HUMAN cholecystokinin A receptor -8.74 -7.51 -8.57 27.52% CHEMBL206025 Inactive 96.06%
CCR1_HUMAN C-C motif chemokine receptor 1 -7.90 -7.85 -8.00 38.89% CHEMBL33277 Inactive 85.23%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.93 -7.21 -7.33 42.18% CHEMBL1683054 Inactive 84.36%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.31 -7.03 -7.67 34.35% CHEMBL1621896 Inactive 70.02%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.08 -7.43 -7.98 39.39% CHEMBL1172157 Inactive 98.60%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.96 -9.09 -9.29 31.82% CHEMBL288943 Inactive 84.77%
CNR1_HUMAN cannabinoid receptor 1 -7.03 -8.88 -7.93 55.32% CHEMBL472661 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -9.25 -9.46 N/A 55.32% CHEMBL472661 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -1.65 N/A N/A 24.04% CHEMBL556862 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.65 -7.37 -7.28 27.92% CHEMBL3645131 Inactive 68.70%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.63 -8.65 -8.36 45.89% CHEMBL253247 Inactive 84.77%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.05 -7.15 -7.51 36.97% CHEMBL2029611 N/A N/A
DRD1_HUMAN dopamine receptor D1 -9.24 -8.13 -7.77 33.51% CHEMBL1065 Inactive 54.86%
DRD2_HUMAN dopamine receptor D2 -7.66 N/A N/A 35.61% CHEMBL335545 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.17 N/A N/A 35.61% CHEMBL335545 N/A N/A
DRD4_HUMAN dopamine receptor D4 -8.55 -8.75 N/A 35.61% CHEMBL335545 N/A N/A
DRD5_HUMAN dopamine receptor D5 -9.40 -9.22 -8.71 32.04% CHEMBL343755 Active 54.34%
EDNRA_HUMAN endothelin receptor type A -7.34 -7.11 -7.01 31.95% CHEMBL323951 Inactive 59.87%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 0.59 -1.66 16.62 15.06% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.00 -6.98 -6.32 34.87% CHEMBL433621 Inactive 80.72%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.83 -9.67 -8.08 36.19% CHEMBL1270719 Inactive 64.38%
GRM2_HUMAN glutamate metabotropic receptor 2 -3.33 -1.76 -2.02 39.62% CHEMBL2381649 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -3.89 -4.48 -6.39 39.62% CHEMBL2381649 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 1.69 -0.39 0.89 25.99% CHEMBL1921962 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -5.04 -3.55 -5.84 33.33% CHEMBL1783985 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -2.79 -2.65 -0.31 39.62% CHEMBL2381649 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -0.98 0.94 1.47 15.69% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -3.23 -0.67 3.93 23.24% CHEMBL2418359 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -4.29 N/A N/A 38.57% CHEMBL1278021 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.01 -8.28 -8.98 24.06% CHEMBL588119 Active 80.37%
HRH3_HUMAN histamine receptor H3 -7.41 -8.77 -8.55 51.04% CHEMBL455644 Active 68.22%
HRH4_HUMAN histamine receptor H4 -8.21 -8.44 -8.30 29.93% CHEMBL4083336 Inactive 68.34%
MC3R_HUMAN melanocortin 3 receptor -7.63 -7.97 -7.54 43.24% CHEMBL407135 Inactive 62.79%
MC4R_HUMAN melanocortin 4 receptor -8.09 -6.69 -7.13 43.24% CHEMBL407135 Inactive 92.99%
MC5R_HUMAN melanocortin 5 receptor -6.74 -8.26 -5.93 43.24% CHEMBL407135 Inactive 63.10%
MSHR_HUMAN melanocortin 1 receptor -8.38 -7.47 -8.50 30.57% CHEMBL379879 Inactive 73.08%
NK1R_HUMAN tachykinin receptor 1 -8.01 -8.04 -7.95 40.54% CHEMBL1090450 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.35 -8.94 -8.38 33.54% CHEMBL394531 Inactive 97.26%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.31 -8.16 -7.85 18.93% CHEMBL1989982 Inactive 96.18%
NPFF1_HUMAN neuropeptide FF receptor 1 -7.61 -7.38 -8.03 28.50% CHEMBL472833 Inactive 84.34%
NPSR1_HUMAN neuropeptide S receptor 1 -8.75 -8.70 -8.65 28.22% CHEMBL1210412 Inactive 59.78%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.07 -9.48 -8.59 30.25% CHEMBL2440194 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.61 -7.82 -7.34 39.06% CHEMBL4089420 Inactive 95.55%
NPY4R_HUMAN neuropeptide Y receptor Y4 -8.70 -8.08 -8.16 31.21% CHEMBL2440119 Inactive 60.86%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.57 -8.13 -7.55 27.54% CHEMBL411117 Inactive 87.50%
OPRD_HUMAN opioid receptor delta 1 -6.76 -6.99 -7.36 38.58% CHEMBL401508 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.28 -8.28 -7.80 38.93% CHEMBL144483 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.77 -7.18 -7.20 40.72% CHEMBL362202 Inactive 63.60%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.68 -7.65 -8.08 38.03% CHEMBL3665444 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.58 -7.45 -8.65 30.77% CHEMBL300463 Inactive 55.45%
TAAR1_HUMAN trace amine associated receptor 1 -9.34 -9.47 -8.76 56.57% CHEMBL1429767 Inactive 68.33%
TSHR_HUMAN thyroid stimulating hormone receptor -8.30 -9.00 -8.22 32.95% CHEMBL3897841 Inactive 96.33%
V1AR_HUMAN arginine vasopressin receptor 1A -8.05 -8.39 -8.60 33.16% CHEMBL397189 Inactive 82.71%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -8.10 -8.18 -8.25 24.75% CHEMBL3884667 N/A N/A