job 1 #317 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 -8.18 -7.95 -7.37 60.33% CHEMBL56564 Active 68.22%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.42 -7.72 -8.28 46.51% CHEMBL79693 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.20 -7.60 -6.73 46.51% CHEMBL79693 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -7.13 -8.18 -7.73 26.55% CHEMBL103479 Active 51.94%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -7.83 -7.73 -7.99 29.76% CHEMBL320198 Inactive 55.68%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -8.40 -7.89 N/A 65.62% CHEMBL1201203 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.30 -7.75 -7.84 65.62% CHEMBL1201203 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.40 -8.96 N/A 65.62% CHEMBL1201203 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.21 -8.71 -7.73 60.33% CHEMBL56564 Active 78.97%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -7.90 -6.89 -7.69 38.28% CHEMBL161507 Active 53.48%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -7.26 -7.80 -8.07 55.66% CHEMBL1626 Active 89.22%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -7.24 -7.43 -7.24 44.00% CHEMBL203400 Inactive 53.06%
AA1R_HUMAN adenosine A1 receptor -7.17 -7.78 -7.95 38.04% CHEMBL3350613 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.18 -7.10 -8.24 38.04% CHEMBL3350613 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -7.52 -7.49 -7.43 34.91% CHEMBL384257 Active 52.64%
AA3R_HUMAN adenosine A3 receptor -7.97 -6.06 -7.80 69.90% CHEMBL2107804 Active 95.06%
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.40 -5.02 N/A 71.29% CHEMBL85190 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -7.71 -7.48 -9.15 71.29% CHEMBL85190 Active 94.39%
ACM3_HUMAN cholinergic receptor muscarinic 3 -7.82 -8.64 -8.43 65.62% CHEMBL1201203 Active 76.56%
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.10 -7.97 N/A 71.29% CHEMBL85190 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -8.80 -8.62 -7.78 65.62% CHEMBL1201203 Active 88.89%
ACTHR_HUMAN melanocortin 2 receptor -8.85 -8.73 -7.86 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -7.80 -8.23 -7.61 65.62% CHEMBL1201203 Active 85.55%
ADA2A_HUMAN adrenoceptor alpha 2A -5.67 -7.53 -5.27 65.62% CHEMBL1201203 Active 84.99%
ADA2B_HUMAN adrenoceptor alpha 2B -9.01 -8.91 -8.58 65.62% CHEMBL1201203 Active 85.06%
ADA2C_HUMAN adrenoceptor alpha 2C -3.87 -3.91 -3.49 65.62% CHEMBL1201203 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -8.13 -8.21 -7.72 45.90% CHEMBL1085395 Active 65.97%
ADRB2_HUMAN adrenoceptor beta 2 -7.78 -8.91 -8.38 49.60% CHEMBL1459608 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -7.94 -8.46 -7.73 49.23% CHEMBL3746885 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -7.39 -7.57 -7.30 32.61% CHEMBL376286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -8.17 -8.32 -8.33 35.66% CHEMBL406291 Inactive 73.81%
CALCR_HUMAN calcitonin receptor -7.21 -7.43 -7.53 32.95% CHEMBL2369895 Inactive 97.90%
CCKAR_HUMAN cholecystokinin A receptor -7.65 -7.30 -9.05 36.96% CHEMBL206025 Inactive 94.20%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.13 -6.69 -6.78 47.24% CHEMBL344324 Inactive 93.98%
CCR2_HUMAN C-C motif chemokine receptor 2 -7.50 -7.79 -7.30 50.43% CHEMBL1683053 Inactive 77.00%
CCR4_HUMAN C-C motif chemokine receptor 4 -6.88 -7.39 -7.96 31.69% CHEMBL1907216 Inactive 75.09%
CCR5_HUMAN C-C motif chemokine receptor 5 -7.49 -7.55 -7.30 54.76% CHEMBL101333 Inactive 94.66%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.04 -8.01 -9.24 32.96% CHEMBL3342957 Inactive 93.32%
CNR1_HUMAN cannabinoid receptor 1 -6.67 -8.16 -8.54 42.86% CHEMBL1765160 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -8.57 -9.14 N/A 50.00% CHEMBL1765285 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -7.66 N/A N/A 25.37% CHEMBL556862 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.38 -6.21 -6.83 33.33% CHEMBL3645131 Inactive 69.54%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.25 -8.26 -8.32 38.13% CHEMBL458422 Inactive 92.79%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.59 -6.33 -7.33 33.84% CHEMBL3923006 N/A N/A
DRD1_HUMAN dopamine receptor D1 -7.97 -7.81 -8.45 56.60% CHEMBL305660 Active 74.64%
DRD2_HUMAN dopamine receptor D2 -6.95 N/A N/A 62.50% CHEMBL3318839 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.90 N/A N/A 65.62% CHEMBL1201203 N/A N/A
DRD4_HUMAN dopamine receptor D4 -8.08 -8.24 N/A 62.50% CHEMBL3318835 N/A N/A
DRD5_HUMAN dopamine receptor D5 -7.82 -8.31 -7.59 42.86% CHEMBL54 Inactive 65.98%
EDNRA_HUMAN endothelin receptor type A -7.10 -7.18 -7.23 37.31% CHEMBL315927 Inactive 62.37%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -3.80 -4.57 0.24 21.02% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -7.62 -7.19 -6.38 42.48% CHEMBL103276 Inactive 78.71%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.43 -7.90 -8.37 34.62% CHEMBL92162 Inactive 67.72%
GRM2_HUMAN glutamate metabotropic receptor 2 -6.29 -5.56 -5.79 57.01% CHEMBL3955458 Active 69.20%
GRM3_HUMAN glutamate metabotropic receptor 3 -6.33 -5.60 -7.15 57.01% CHEMBL3955458 Active 72.40%
GRM4_HUMAN glutamate metabotropic receptor 4 -3.46 -2.76 -4.04 28.12% CHEMBL578988 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -7.80 -5.05 -6.44 42.50% CHEMBL3926962 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -6.79 -8.57 -8.17 38.32% CHEMBL275079 Inactive 99.12%
GRM7_HUMAN glutamate metabotropic receptor 7 -5.30 -3.52 -6.22 30.37% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -4.82 -5.14 -4.41 31.11% CHEMBL95868 Inactive 69.78%
HRH1_HUMAN histamine receptor H1 -7.05 N/A N/A 65.62% CHEMBL1201203 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.46 -8.04 -7.50 55.66% CHEMBL1626 Active 97.92%
HRH3_HUMAN histamine receptor H3 -6.62 -7.93 -7.93 55.28% CHEMBL514217 Active 75.73%
HRH4_HUMAN histamine receptor H4 -8.08 -7.61 -7.92 53.23% CHEMBL4083336 Active 84.88%
MC3R_HUMAN melanocortin 3 receptor -7.45 -6.85 -7.33 47.83% CHEMBL379879 Inactive 54.03%
MC4R_HUMAN melanocortin 4 receptor -6.60 -6.03 -6.33 47.83% CHEMBL379879 Inactive 66.76%
MC5R_HUMAN melanocortin 5 receptor -5.88 -6.82 -3.96 37.21% CHEMBL1209788 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -7.54 -6.87 -7.12 47.83% CHEMBL379879 Inactive 58.40%
NK1R_HUMAN tachykinin receptor 1 -7.63 -8.02 -7.15 54.84% CHEMBL2115009 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -7.63 -7.44 -7.45 56.60% CHEMBL305660 Inactive 94.45%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.13 -6.88 -7.38 29.89% CHEMBL1977658 Inactive 94.55%
NPFF1_HUMAN neuropeptide FF receptor 1 -7.21 -7.29 -7.52 33.10% CHEMBL1672379 Inactive 89.63%
NPSR1_HUMAN neuropeptide S receptor 1 -7.72 -8.61 -7.99 31.58% CHEMBL230333 Inactive 67.92%
NPY1R_HUMAN neuropeptide Y receptor Y1 -8.16 -7.88 -7.73 42.14% CHEMBL1223991 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.00 -7.12 -6.98 38.69% CHEMBL2030150 Inactive 90.82%
NPY4R_HUMAN neuropeptide Y receptor Y4 -7.74 -7.82 -7.92 33.99% CHEMBL2440119 Inactive 50.21%
NPY5R_HUMAN neuropeptide Y receptor Y5 -7.79 -7.23 -7.22 46.32% CHEMBL522913 Inactive 87.14%
OPRD_HUMAN opioid receptor delta 1 -7.25 -6.34 -6.38 46.10% CHEMBL575647 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -7.86 -7.22 -8.75 52.00% CHEMBL179350 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -7.54 -6.62 -7.51 53.15% CHEMBL255768 Inactive 66.64%
OPRX_HUMAN opioid related nociceptin receptor 1 -6.78 -7.12 -6.95 52.27% CHEMBL1783822 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -7.47 -7.31 -7.80 40.62% CHEMBL2304167 Active 54.45%
TAAR1_HUMAN trace amine associated receptor 1 -8.11 -8.34 -8.10 46.67% CHEMBL1305977 Active 55.99%
TSHR_HUMAN thyroid stimulating hormone receptor -8.73 -8.80 -8.47 29.44% CHEMBL3897841 Inactive 97.09%
V1AR_HUMAN arginine vasopressin receptor 1A -7.43 -7.15 -7.59 41.22% CHEMBL3416867 Inactive 88.16%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -6.54 -7.36 -7.31 30.05% CHEMBL3884667 N/A N/A