job final #323 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 -8.68 -7.64 -8.26 47.55% CHEMBL49838 Inactive 52.43%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.84 -9.16 -9.67 46.63% CHEMBL29951 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -9.15 -7.59 -7.55 46.63% CHEMBL29951 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -8.24 -7.61 -8.21 26.49% CHEMBL343755 Inactive 71.03%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -9.28 -9.38 -9.60 26.47% CHEMBL497963 Inactive 71.38%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.45 -7.40 N/A 47.74% CHEMBL3695438 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -8.63 -8.94 -9.24 45.71% CHEMBL445106 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.91 -9.12 N/A 45.71% CHEMBL445106 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -9.55 -9.30 -7.46 36.73% CHEMBL571799 Inactive 59.81%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -9.92 -7.50 -8.25 41.05% CHEMBL278751 Inactive 74.19%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.27 -7.96 -7.77 43.36% CHEMBL429023 Active 63.09%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -8.86 -9.18 -9.31 42.06% CHEMBL3581246 Active 74.24%
AA1R_HUMAN adenosine A1 receptor -8.28 -9.04 -7.24 29.48% CHEMBL1090687 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.48 -7.87 -9.48 35.71% CHEMBL559023 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -8.90 -8.88 -9.01 30.71% CHEMBL589251 Inactive 53.78%
AA3R_HUMAN adenosine A3 receptor -4.56 -4.37 -8.41 55.86% CHEMBL80 Active 62.29%
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.46 4.59 N/A 43.05% CHEMBL2312344 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -9.90 -8.69 -10.25 40.51% CHEMBL343236 Inactive 52.32%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.90 -9.54 -8.35 40.77% CHEMBL1921911 Active 59.88%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.77 -7.29 N/A 38.46% CHEMBL1346 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -9.45 -9.39 -8.25 42.67% CHEMBL2312366 Active 62.49%
ACTHR_HUMAN melanocortin 2 receptor -8.35 -8.52 -8.56 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.58 -8.86 -9.02 40.58% CHEMBL383938 Inactive 64.77%
ADA2A_HUMAN adrenoceptor alpha 2A -0.96 -1.81 2.23 42.36% CHEMBL50588 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -7.52 -6.14 -4.74 36.32% CHEMBL268258 Active 55.11%
ADA2C_HUMAN adrenoceptor alpha 2C 5.36 5.10 4.53 42.36% CHEMBL50588 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.09 -8.03 -8.60 38.46% CHEMBL1346 Inactive 60.94%
ADRB2_HUMAN adrenoceptor beta 2 -7.87 -8.85 -9.49 40.36% CHEMBL1714856 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -9.02 -8.21 -8.70 41.67% CHEMBL59765 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.46 -8.44 -8.46 41.15% CHEMBL154057 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -8.28 -10.89 -9.28 28.09% CHEMBL2105864 Inactive 70.52%
CALCR_HUMAN calcitonin receptor -7.87 -8.23 -8.47 27.31% CHEMBL2369895 Inactive 98.39%
CCKAR_HUMAN cholecystokinin A receptor -8.85 -8.20 -8.52 28.89% CHEMBL249151 Inactive 92.59%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.95 -7.90 -7.87 37.72% CHEMBL2391937 Inactive 79.92%
CCR2_HUMAN C-C motif chemokine receptor 2 -8.74 -8.66 -7.96 39.00% CHEMBL3589950 Inactive 54.02%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.33 -8.46 -8.96 29.15% CHEMBL1907216 Inactive 69.74%
CCR5_HUMAN C-C motif chemokine receptor 5 -8.55 -8.49 -7.93 45.36% CHEMBL3219777 Inactive 76.36%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.58 -8.85 -10.18 34.26% CHEMBL1214532 Inactive 77.56%
CNR1_HUMAN cannabinoid receptor 1 -7.79 -9.66 -9.84 52.34% CHEMBL1668516 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -10.27 -10.13 N/A 53.23% CHEMBL2348471 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -8.34 N/A N/A 28.73% CHEMBL490688 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.27 -8.06 -7.83 32.59% CHEMBL3645131 Inactive 68.27%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -8.86 -8.59 -8.51 43.38% CHEMBL3697086 Inactive 85.32%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -8.66 -7.45 -7.75 31.98% CHEMBL2029611 N/A N/A
DRD1_HUMAN dopamine receptor D1 -7.79 -8.69 -8.94 45.89% CHEMBL3781035 Active 71.93%
DRD2_HUMAN dopamine receptor D2 -8.04 N/A N/A 50.78% CHEMBL170976 N/A N/A
DRD3_HUMAN dopamine receptor D3 -8.45 N/A N/A 50.78% CHEMBL170976 N/A N/A
DRD4_HUMAN dopamine receptor D4 -8.51 -8.90 N/A 44.81% CHEMBL132261 N/A N/A
DRD5_HUMAN dopamine receptor D5 -7.88 -7.12 -7.53 42.80% CHEMBL3577346 Inactive 66.68%
EDNRA_HUMAN endothelin receptor type A -8.25 -8.01 -8.04 42.92% CHEMBL323951 Active 57.57%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 6.02 4.28 12.05 17.34% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.68 -8.27 -6.94 53.30% CHEMBL452991 Inactive 51.99%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.55 -6.33 -2.70 33.85% CHEMBL2111944 Inactive 99.99%
GRM2_HUMAN glutamate metabotropic receptor 2 2.71 3.56 4.04 31.76% CHEMBL287831 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 0.02 -2.38 -1.34 30.20% CHEMBL341457 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 2.96 2.48 2.39 28.37% CHEMBL2063423 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -6.43 0.62 -1.96 29.67% CHEMBL3805652 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -2.39 -6.18 -4.51 17.48% CHEMBL1585091 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -1.17 0.98 1.56 29.44% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 6.41 7.05 8.02 29.91% CHEMBL95868 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -7.01 N/A N/A 40.30% CHEMBL476839 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.96 -8.71 -8.65 37.68% CHEMBL490632 Active 98.32%
HRH3_HUMAN histamine receptor H3 -7.61 -8.78 -9.21 45.00% CHEMBL1935421 Active 60.31%
HRH4_HUMAN histamine receptor H4 -7.94 -6.87 -7.93 34.98% CHEMBL1934062 Inactive 51.29%
MC3R_HUMAN melanocortin 3 receptor -8.43 -8.21 -7.18 32.92% CHEMBL257759 Inactive 73.31%
MC4R_HUMAN melanocortin 4 receptor -8.17 -7.57 -7.45 34.69% CHEMBL439361 Inactive 95.04%
MC5R_HUMAN melanocortin 5 receptor -6.26 -7.42 -4.75 32.92% CHEMBL257759 Inactive 87.21%
MSHR_HUMAN melanocortin 1 receptor -8.08 -7.90 -8.34 34.60% CHEMBL442537 Inactive 69.76%
NK1R_HUMAN tachykinin receptor 1 -9.22 -7.83 -7.72 44.73% CHEMBL327606 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.70 -8.42 -8.68 42.64% CHEMBL553025 Inactive 92.92%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.81 -8.37 -8.54 29.17% CHEMBL1940539 Inactive 90.49%
NPFF1_HUMAN neuropeptide FF receptor 1 -8.24 -8.09 -8.14 26.34% CHEMBL2208334 Inactive 66.22%
NPSR1_HUMAN neuropeptide S receptor 1 -8.06 -8.73 -9.75 32.56% CHEMBL1801359 Inactive 63.75%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.74 -8.62 -8.97 33.33% CHEMBL356118 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -8.50 -8.30 -8.97 29.52% CHEMBL2030193 Inactive 94.03%
NPY4R_HUMAN neuropeptide Y receptor Y4 -9.00 -9.10 -9.08 28.57% CHEMBL3099721 Inactive 97.37%
NPY5R_HUMAN neuropeptide Y receptor Y5 -8.20 -8.09 -7.53 44.49% CHEMBL349386 Inactive 76.99%
OPRD_HUMAN opioid receptor delta 1 -7.82 -7.23 -7.50 91.33% CHEMBL199931 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -9.52 -8.81 -8.23 91.33% CHEMBL199931 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.74 -7.48 -7.39 91.33% CHEMBL199931 Active 95.49%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.48 -7.70 -7.75 88.72% CHEMBL3262362 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -9.28 -8.70 -9.12 36.48% CHEMBL34669 Inactive 51.75%
TAAR1_HUMAN trace amine associated receptor 1 -9.54 -9.59 -8.99 42.08% CHEMBL2136532 Inactive 74.16%
TSHR_HUMAN thyroid stimulating hormone receptor -9.43 -9.46 -9.14 29.46% CHEMBL3897841 Inactive 96.91%
V1AR_HUMAN arginine vasopressin receptor 1A -7.88 -8.17 -8.83 34.58% CHEMBL3416874 Inactive 83.56%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -7.73 -9.49 -8.65 25.50% CHEMBL507480 N/A N/A