CKB #286 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 -7.36 -6.53 -6.16 51.72% CHEMBL178680 Inactive 53.17%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -6.85 -6.73 -7.35 47.44% CHEMBL146942 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -6.76 -6.96 -5.70 46.09% CHEMBL100086 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -6.72 -7.26 -7.13 28.32% CHEMBL2391541 Inactive 53.90%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -6.99 -6.90 -7.09 28.78% CHEMBL3616488 Inactive 68.72%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -7.23 -7.29 N/A 56.94% CHEMBL493129 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -6.74 -7.38 -7.38 56.94% CHEMBL493129 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -7.00 -7.13 N/A 56.94% CHEMBL493129 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.02 -8.31 -7.46 41.07% CHEMBL80015 Inactive 61.45%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -7.15 -6.00 -6.58 44.33% CHEMBL278751 Active 56.89%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -6.35 -6.80 -7.02 47.44% CHEMBL146942 Active 59.48%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -7.47 -7.29 -7.50 47.44% CHEMBL146942 Active 62.14%
AA1R_HUMAN adenosine A1 receptor -7.42 -6.72 -6.74 47.42% CHEMBL1544 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -6.51 -7.09 -7.44 36.00% CHEMBL2042091 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -7.77 -7.51 -6.88 31.37% CHEMBL3317576 Inactive 57.60%
AA3R_HUMAN adenosine A3 receptor -7.52 -7.93 -7.01 43.27% CHEMBL513389 Active 61.08%
ACM1_HUMAN cholinergic receptor muscarinic 1 -7.70 -8.21 N/A 51.35% CHEMBL4081662 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -7.49 -6.50 -7.58 52.04% CHEMBL74305 Active 54.19%
ACM3_HUMAN cholinergic receptor muscarinic 3 -6.70 -7.77 -7.91 51.35% CHEMBL4081662 Active 53.86%
ACM4_HUMAN cholinergic receptor muscarinic 4 -7.52 -6.86 N/A 45.65% CHEMBL24369 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -7.66 -7.43 -7.63 47.37% CHEMBL3629534 Active 72.19%
ACTHR_HUMAN melanocortin 2 receptor -8.66 -8.48 -7.38 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -7.11 -6.84 -6.50 46.23% CHEMBL385371 Active 63.20%
ADA2A_HUMAN adrenoceptor alpha 2A -7.36 -7.25 -6.01 50.00% CHEMBL6966 Active 84.84%
ADA2B_HUMAN adrenoceptor alpha 2B -8.13 -8.38 -8.25 45.05% CHEMBL3735756 Active 79.05%
ADA2C_HUMAN adrenoceptor alpha 2C -5.72 -4.93 -4.28 45.05% CHEMBL3735756 Active 51.15%
ADRB1_HUMAN adrenoceptor beta 1 -7.51 -6.85 -7.45 49.44% CHEMBL768 Active 62.17%
ADRB2_HUMAN adrenoceptor beta 2 -7.37 -7.64 -7.81 47.78% CHEMBL3099663 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -7.81 -8.56 -7.69 45.87% CHEMBL1201237 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -7.23 -7.13 -5.88 36.94% CHEMBL154057 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -7.41 -8.05 -7.46 28.92% CHEMBL2105864 Inactive 87.19%
CALCR_HUMAN calcitonin receptor -6.43 -6.35 -6.16 29.30% CHEMBL2369895 Inactive 88.04%
CCKAR_HUMAN cholecystokinin A receptor -6.69 -6.51 -6.99 30.87% CHEMBL382051 Inactive 91.87%
CCR1_HUMAN C-C motif chemokine receptor 1 -6.80 -6.93 -6.38 43.52% CHEMBL143690 Inactive 97.98%
CCR2_HUMAN C-C motif chemokine receptor 2 -6.95 -7.02 -6.31 44.09% CHEMBL3753178 Inactive 97.26%
CCR4_HUMAN C-C motif chemokine receptor 4 -6.39 -6.82 -7.31 29.82% CHEMBL1621896 Inactive 83.55%
CCR5_HUMAN C-C motif chemokine receptor 5 -6.87 -6.77 -6.96 44.12% CHEMBL182682 Inactive 95.05%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -7.79 -8.22 -8.57 35.45% CHEMBL22776 Inactive 91.98%
CNR1_HUMAN cannabinoid receptor 1 -7.80 -7.32 -7.71 62.64% CHEMBL947 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -7.52 -7.80 N/A 66.67% CHEMBL1923764 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.98 N/A N/A 26.55% CHEMBL522959 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.21 -6.20 -5.46 39.67% CHEMBL3645131 Inactive 53.93%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -7.21 -7.10 -7.43 42.64% CHEMBL3700578 Inactive 97.52%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -6.81 -6.19 -6.04 34.95% CHEMBL126657 N/A N/A
DRD1_HUMAN dopamine receptor D1 -7.16 -6.85 -7.26 50.57% CHEMBL3800636 Inactive 51.81%
DRD2_HUMAN dopamine receptor D2 -6.54 N/A N/A 52.04% CHEMBL330865 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.61 N/A N/A 51.40% CHEMBL3664834 N/A N/A
DRD4_HUMAN dopamine receptor D4 -7.78 -7.63 N/A 50.57% CHEMBL3800636 N/A N/A
DRD5_HUMAN dopamine receptor D5 -7.40 -8.02 -7.95 46.07% CHEMBL231171 Active 64.50%
EDNRA_HUMAN endothelin receptor type A -5.46 -6.31 -6.14 60.00% CHEMBL38537 Inactive 52.51%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -6.03 -6.59 -6.33 19.85% CHEMBL2391908 Inactive 89.80%
GASR_HUMAN cholecystokinin B receptor -6.23 -6.86 -5.15 37.29% CHEMBL1171596 Inactive 87.76%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.61 -8.12 -7.86 49.43% CHEMBL254372 Inactive 50.66%
GRM2_HUMAN glutamate metabotropic receptor 2 -6.26 -7.06 -6.53 68.75% CHEMBL341457 Active 91.89%
GRM3_HUMAN glutamate metabotropic receptor 3 -8.24 -8.60 -8.38 68.75% CHEMBL341457 Active 86.39%
GRM4_HUMAN glutamate metabotropic receptor 4 -4.94 -5.58 -5.46 25.13% CHEMBL2063423 Inactive 97.48%
GRM5_HUMAN glutamate metabotropic receptor 5 -7.94 -8.53 -8.62 42.00% CHEMBL1682820 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -6.86 -7.73 -7.02 22.08% CHEMBL280563 Inactive 98.41%
GRM7_HUMAN glutamate metabotropic receptor 7 -6.92 -6.22 -6.49 49.00% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -5.50 -5.55 -5.31 49.00% CHEMBL432038 Inactive 96.70%
HRH1_HUMAN histamine receptor H1 -7.68 N/A N/A 54.44% CHEMBL59798 N/A N/A
HRH2_HUMAN histamine receptor H2 -8.17 -6.77 -8.03 44.21% CHEMBL2205811 Active 94.28%
HRH3_HUMAN histamine receptor H3 -7.23 -6.37 -6.41 56.32% CHEMBL1824229 Active 92.31%
HRH4_HUMAN histamine receptor H4 -7.37 -7.20 -7.51 42.45% CHEMBL14638 Active 76.99%
MC3R_HUMAN melanocortin 3 receptor -7.03 -6.26 -6.55 35.62% CHEMBL192450 Inactive 66.51%
MC4R_HUMAN melanocortin 4 receptor -5.56 -6.40 -6.02 38.00% CHEMBL225856 Inactive 65.10%
MC5R_HUMAN melanocortin 5 receptor -6.20 -7.17 -5.85 35.11% CHEMBL363019 Inactive 62.22%
MSHR_HUMAN melanocortin 1 receptor -7.42 -6.79 -7.61 35.16% CHEMBL3951584 Inactive 63.79%
NK1R_HUMAN tachykinin receptor 1 -6.80 -7.22 -6.50 43.93% CHEMBL1817892 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -6.20 -6.77 -5.92 39.60% CHEMBL1083974 Inactive 98.33%
NPBW1_HUMAN neuropeptides B and W receptor 1 -5.83 -5.56 -6.74 33.54% CHEMBL2001553 Inactive 92.19%
NPFF1_HUMAN neuropeptide FF receptor 1 -6.09 -6.20 -6.44 31.62% CHEMBL2208334 Inactive 79.58%
NPSR1_HUMAN neuropeptide S receptor 1 -6.16 -7.52 -7.00 31.74% CHEMBL1801360 Inactive 78.37%
NPY1R_HUMAN neuropeptide Y receptor Y1 -7.78 -7.08 -6.81 50.67% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -6.32 -6.54 -6.35 50.67% CHEMBL3559801 Active 57.78%
NPY4R_HUMAN neuropeptide Y receptor Y4 -6.83 -6.78 -6.02 50.67% CHEMBL3559801 Active 96.37%
NPY5R_HUMAN neuropeptide Y receptor Y5 -6.30 -6.46 -6.79 51.61% CHEMBL68467 Inactive 65.79%
OPRD_HUMAN opioid receptor delta 1 -6.27 -5.65 -5.95 57.65% CHEMBL1237044 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -7.47 -7.25 -6.59 57.89% CHEMBL2022021 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -7.08 -6.32 -6.47 55.10% CHEMBL3976681 Inactive 73.25%
OPRX_HUMAN opioid related nociceptin receptor 1 -6.44 -5.52 -6.52 46.51% CHEMBL3919659 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -6.76 -6.68 -6.90 59.30% CHEMBL297624 Active 73.02%
TAAR1_HUMAN trace amine associated receptor 1 -7.94 -7.59 -7.44 47.66% CHEMBL1379139 Active 81.21%
TSHR_HUMAN thyroid stimulating hormone receptor -6.63 -7.80 -6.81 27.21% CHEMBL3913851 Inactive 94.26%
V1AR_HUMAN arginine vasopressin receptor 1A -6.44 -6.21 -7.39 36.44% CHEMBL1807268 Inactive 95.12%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -6.85 -7.15 -7.36 25.14% CHEMBL3884667 N/A N/A