CBD #47 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 -7.73 -7.28 -7.71 49.40% CHEMBL146942 Active 54.27%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.29 -8.27 -8.87 49.40% CHEMBL146942 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -8.57 -8.53 -8.07 40.82% CHEMBL26998 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -7.73 -7.70 -7.67 27.39% CHEMBL22744 Active 59.03%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -7.93 -8.12 -8.55 23.81% CHEMBL497963 Inactive 67.89%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -9.25 -8.22 N/A 46.74% CHEMBL268890 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -7.83 -8.33 -7.80 41.98% CHEMBL510383 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.49 -8.63 N/A 41.98% CHEMBL510383 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -8.28 -8.80 -8.66 31.06% CHEMBL84398 Inactive 83.03%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -8.16 -7.15 -8.07 36.70% CHEMBL278751 Inactive 59.09%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.65 -7.87 -8.61 49.40% CHEMBL146942 Active 78.40%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -7.82 -8.74 -8.48 49.40% CHEMBL146942 Active 72.23%
AA1R_HUMAN adenosine A1 receptor -8.10 -8.08 -8.65 26.67% CHEMBL103150 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -7.93 -7.96 -8.29 27.00% CHEMBL496 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -7.99 -8.79 -7.87 21.56% CHEMBL3317578 Inactive 82.72%
AA3R_HUMAN adenosine A3 receptor -8.74 -6.38 -8.87 40.82% CHEMBL56 Inactive 63.64%
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.17 -5.09 N/A 41.90% CHEMBL3085495 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.58 -7.99 -9.89 41.90% CHEMBL3085495 Active 65.74%
ACM3_HUMAN cholinergic receptor muscarinic 3 -8.13 -9.41 -9.00 41.90% CHEMBL3085495 Active 51.18%
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.23 -8.61 N/A 41.90% CHEMBL3085495 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -9.22 -9.57 -8.67 32.99% CHEMBL27673 Active 62.87%
ACTHR_HUMAN melanocortin 2 receptor -8.72 -8.58 -8.40 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.45 -8.12 -9.02 40.82% CHEMBL56 Inactive 65.06%
ADA2A_HUMAN adrenoceptor alpha 2A -7.00 -5.57 -4.98 34.75% CHEMBL256984 Active 53.20%
ADA2B_HUMAN adrenoceptor alpha 2B -8.62 -9.52 -8.27 32.18% CHEMBL1437 Active 53.34%
ADA2C_HUMAN adrenoceptor alpha 2C -2.17 -1.70 0.49 32.81% CHEMBL50588 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -8.85 -8.16 -9.37 32.48% CHEMBL26917 Inactive 70.85%
ADRB2_HUMAN adrenoceptor beta 2 -8.21 -9.63 -9.01 37.89% CHEMBL1800960 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -8.91 -8.85 -8.73 32.18% CHEMBL1437 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -8.25 -8.51 -8.20 25.84% CHEMBL154057 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -8.93 -8.78 -9.07 20.73% CHEMBL1162797 Inactive 88.64%
CALCR_HUMAN calcitonin receptor -7.72 -7.82 -8.29 19.10% CHEMBL2369895 Inactive 98.48%
CCKAR_HUMAN cholecystokinin A receptor -8.17 -7.16 -8.24 20.27% CHEMBL250974 Inactive 98.20%
CCR1_HUMAN C-C motif chemokine receptor 1 -8.26 -7.41 -7.26 33.33% CHEMBL341840 Inactive 94.99%
CCR2_HUMAN C-C motif chemokine receptor 2 -6.67 -8.25 -7.16 51.58% CHEMBL3754764 Inactive 79.00%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.26 -7.39 -7.54 25.89% CHEMBL1618631 Inactive 80.62%
CCR5_HUMAN C-C motif chemokine receptor 5 -7.96 -8.04 -7.62 34.82% CHEMBL468150 Inactive 91.75%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.12 -8.70 -8.96 30.07% CHEMBL1213917 Inactive 92.41%
CNR1_HUMAN cannabinoid receptor 1 -7.64 -8.55 -9.38 98.61% CHEMBL394305 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -8.92 -9.44 N/A 100.00% CHEMBL236171 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -6.53 N/A N/A 24.71% CHEMBL254370 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -7.41 -6.70 -6.57 28.06% CHEMBL3645131 Inactive 70.37%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -7.87 -8.06 -7.99 32.26% CHEMBL2205064 Inactive 96.43%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -7.19 -6.79 -7.11 32.14% CHEMBL126657 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.57 -7.87 -7.85 42.86% CHEMBL2092940 Active 51.09%
DRD2_HUMAN dopamine receptor D2 -7.19 N/A N/A 42.86% CHEMBL1159663 N/A N/A
DRD3_HUMAN dopamine receptor D3 -7.44 N/A N/A 62.75% CHEMBL4082631 N/A N/A
DRD4_HUMAN dopamine receptor D4 -8.03 -8.64 N/A 40.82% CHEMBL334472 N/A N/A
DRD5_HUMAN dopamine receptor D5 -8.57 -8.81 -7.89 33.87% CHEMBL604314 Inactive 64.89%
EDNRA_HUMAN endothelin receptor type A -7.23 -6.98 -7.03 36.73% CHEMBL10832 Inactive 50.64%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -4.54 -4.99 2.51 20.28% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -8.51 -7.32 -5.81 24.46% CHEMBL452991 Inactive 80.01%
GRM1_HUMAN glutamate metabotropic receptor 1 -7.32 -9.06 -7.26 33.65% CHEMBL254372 Inactive 67.80%
GRM2_HUMAN glutamate metabotropic receptor 2 -5.64 -6.40 -5.33 34.58% CHEMBL341457 Inactive 65.74%
GRM3_HUMAN glutamate metabotropic receptor 3 -5.32 -7.61 -8.47 37.00% CHEMBL124483 Inactive 96.20%
GRM4_HUMAN glutamate metabotropic receptor 4 -2.77 -3.02 -2.54 20.30% CHEMBL2063423 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -9.83 -6.99 -6.88 34.58% CHEMBL1289626 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -7.48 -8.19 -7.86 12.95% CHEMBL4101970 Inactive 98.68%
GRM7_HUMAN glutamate metabotropic receptor 7 -2.92 -4.30 -2.40 30.58% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -2.23 -2.12 -2.07 30.58% CHEMBL432038 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -6.01 N/A N/A 41.90% CHEMBL1101 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.21 -8.16 -8.52 31.75% CHEMBL490632 Active 95.81%
HRH3_HUMAN histamine receptor H3 -8.13 -8.25 -7.89 37.74% CHEMBL2375595 Active 55.46%
HRH4_HUMAN histamine receptor H4 -7.90 -7.83 -8.08 33.67% CHEMBL1934066 Inactive 54.75%
MC3R_HUMAN melanocortin 3 receptor -8.65 -8.80 -7.51 24.18% CHEMBL193715 Inactive 65.41%
MC4R_HUMAN melanocortin 4 receptor -7.11 -6.72 -7.31 39.22% CHEMBL1699592 Inactive 86.05%
MC5R_HUMAN melanocortin 5 receptor -6.25 -7.67 -4.85 25.00% CHEMBL3913861 Inactive 90.35%
MSHR_HUMAN melanocortin 1 receptor -7.99 -7.85 -8.33 23.13% CHEMBL379054 Inactive 76.99%
NK1R_HUMAN tachykinin receptor 1 -7.65 -7.87 -7.68 40.98% CHEMBL2114439 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -8.10 -8.30 -8.02 29.59% CHEMBL17157 Inactive 98.32%
NPBW1_HUMAN neuropeptides B and W receptor 1 -7.44 -7.28 -7.10 21.98% CHEMBL1940539 Inactive 96.04%
NPFF1_HUMAN neuropeptide FF receptor 1 -7.30 -7.07 -7.17 26.45% CHEMBL3361424 Inactive 93.87%
NPSR1_HUMAN neuropeptide S receptor 1 -8.21 -8.18 -8.07 22.66% CHEMBL3086828 Inactive 78.41%
NPY1R_HUMAN neuropeptide Y receptor Y1 -9.06 -8.36 -7.47 32.46% CHEMBL556915 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -7.54 -8.22 -7.47 28.42% CHEMBL3559801 Inactive 96.96%
NPY4R_HUMAN neuropeptide Y receptor Y4 -7.98 -8.49 -8.02 28.42% CHEMBL3559801 Inactive 71.65%
NPY5R_HUMAN neuropeptide Y receptor Y5 -7.65 -7.51 -7.44 45.00% CHEMBL469257 Inactive 85.48%
OPRD_HUMAN opioid receptor delta 1 -7.14 -6.74 -6.98 45.54% CHEMBL437949 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -8.68 -9.16 -7.97 45.54% CHEMBL437949 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -8.03 -7.89 -7.13 45.54% CHEMBL437949 Inactive 59.36%
OPRX_HUMAN opioid related nociceptin receptor 1 -7.56 -7.51 -7.81 37.50% CHEMBL3785718 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -8.04 -8.30 -7.67 37.74% CHEMBL297624 Inactive 56.10%
TAAR1_HUMAN trace amine associated receptor 1 -9.19 -8.75 -8.43 33.75% CHEMBL1200705 Active 62.09%
TSHR_HUMAN thyroid stimulating hormone receptor -8.66 -9.61 -8.28 23.56% CHEMBL3897841 Inactive 97.26%
V1AR_HUMAN arginine vasopressin receptor 1A -8.17 -7.26 -8.29 33.77% CHEMBL430676 Inactive 82.09%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -7.74 -8.00 -8.22 18.23% CHEMBL483749 N/A N/A