CCCC #27 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 -3.06 -2.75 -2.87 10.53% CHEMBL158973 Inactive 99.99%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -3.22 -3.11 -3.20 7.14% CHEMBL136470 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -3.03 -3.17 -3.68 6.82% CHEMBL138907 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -3.14 -3.35 -3.38 3.12% CHEMBL39 Inactive 99.99%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -3.11 -3.35 -3.19 3.41% CHEMBL103424 Inactive 99.99%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -3.14 -3.21 N/A 10.71% CHEMBL471839 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -3.01 -2.89 -3.01 10.71% CHEMBL471839 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -3.19 -3.53 N/A 10.71% CHEMBL471839 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -3.08 -3.03 -3.29 3.53% CHEMBL1258560 Inactive 99.99%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -3.28 -3.55 -3.15 4.92% CHEMBL189262 Inactive 99.99%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -2.99 -3.11 -3.03 11.11% CHEMBL98511 Inactive 99.99%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -3.13 -3.20 -3.05 10.53% CHEMBL158973 Inactive 99.99%
AA1R_HUMAN adenosine A1 receptor -3.16 -2.92 -3.02 8.33% CHEMBL3314905 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -3.28 -3.12 -2.94 8.33% CHEMBL3314905 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -3.20 -2.98 -2.92 4.05% CHEMBL68278 Inactive 99.99%
AA3R_HUMAN adenosine A3 receptor -3.25 -3.33 -2.75 11.54% CHEMBL575060 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -3.17 -3.79 N/A 13.04% CHEMBL75880 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -3.17 -3.01 -3.18 12.50% CHEMBL2030626 Inactive 99.99%
ACM3_HUMAN cholinergic receptor muscarinic 3 -3.32 -3.12 -3.53 13.04% CHEMBL75880 Inactive 99.99%
ACM4_HUMAN cholinergic receptor muscarinic 4 -3.25 -2.99 N/A 13.04% CHEMBL75880 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -3.09 -3.15 -3.17 13.04% CHEMBL75880 Inactive 99.99%
ACTHR_HUMAN melanocortin 2 receptor -4.39 -4.19 -3.56 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -3.14 -3.26 -3.95 5.66% CHEMBL533979 Inactive 99.99%
ADA2A_HUMAN adrenoceptor alpha 2A -3.14 -3.14 -3.16 10.34% CHEMBL334255 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -3.23 -3.29 -3.33 10.34% CHEMBL334255 Inactive 99.99%
ADA2C_HUMAN adrenoceptor alpha 2C -3.41 -3.27 -3.15 13.04% CHEMBL2030634 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -3.49 -2.97 -2.91 4.84% CHEMBL507003 Inactive 99.99%
ADRB2_HUMAN adrenoceptor beta 2 -3.11 -3.31 -3.34 5.36% CHEMBL388177 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -3.28 -3.26 -3.29 4.84% CHEMBL507003 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -3.63 -3.62 -3.47 3.19% CHEMBL376286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -3.06 -3.57 -3.41 5.17% CHEMBL121565 Inactive 99.99%
CALCR_HUMAN calcitonin receptor -3.00 -3.06 -3.76 2.13% CHEMBL2369895 Inactive 99.99%
CCKAR_HUMAN cholecystokinin A receptor -3.41 -3.05 -3.56 3.26% CHEMBL317181 Inactive 99.99%
CCR1_HUMAN C-C motif chemokine receptor 1 -3.23 -3.35 -2.96 4.84% CHEMBL33761 Inactive 99.99%
CCR2_HUMAN C-C motif chemokine receptor 2 -3.29 -3.07 -3.24 4.44% CHEMBL18442 Inactive 99.99%
CCR4_HUMAN C-C motif chemokine receptor 4 -2.55 -2.88 -2.57 3.49% CHEMBL1621896 Inactive 99.99%
CCR5_HUMAN C-C motif chemokine receptor 5 -3.75 -3.25 -3.60 5.77% CHEMBL441635 Inactive 99.99%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -3.73 -3.42 -3.80 3.45% CHEMBL22776 Inactive 99.99%
CNR1_HUMAN cannabinoid receptor 1 -3.22 -3.34 -3.61 7.50% CHEMBL146346 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -3.47 -3.35 N/A 14.29% CHEMBL3360190 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -3.26 N/A N/A 5.17% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -3.51 -2.97 -2.52 5.17% CHEMBL191413 Inactive 99.99%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -3.21 -2.99 -3.16 6.00% CHEMBL2205723 Inactive 99.99%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -3.30 -2.74 -3.10 6.12% CHEMBL2170299 N/A N/A
DRD1_HUMAN dopamine receptor D1 -2.92 -3.36 -2.86 5.66% CHEMBL21731 Inactive 99.99%
DRD2_HUMAN dopamine receptor D2 -3.77 N/A N/A 10.53% CHEMBL158973 N/A N/A
DRD3_HUMAN dopamine receptor D3 -3.16 N/A N/A 6.98% CHEMBL1196271 N/A N/A
DRD4_HUMAN dopamine receptor D4 -3.08 -3.26 N/A 5.77% CHEMBL21035 N/A N/A
DRD5_HUMAN dopamine receptor D5 -3.50 -3.23 -3.26 5.66% CHEMBL21731 Inactive 99.99%
EDNRA_HUMAN endothelin receptor type A -3.52 -3.52 -3.52 4.69% CHEMBL290026 Inactive 99.99%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -3.32 -3.32 -3.94 3.12% CHEMBL392394 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -3.51 -3.20 -2.61 3.75% CHEMBL38874 Inactive 99.99%
GRM1_HUMAN glutamate metabotropic receptor 1 -3.16 -3.32 -3.35 8.57% CHEMBL38499 Inactive 99.99%
GRM2_HUMAN glutamate metabotropic receptor 2 -3.49 -3.60 -3.51 9.38% CHEMBL280563 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -3.50 -3.61 -3.41 11.54% CHEMBL575060 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 -3.51 -3.36 -3.49 7.14% CHEMBL33567 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -3.20 -4.05 -4.03 8.82% CHEMBL1783985 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -3.48 -3.48 -3.51 9.38% CHEMBL280563 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -3.23 -3.27 -3.28 3.45% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -3.29 -3.33 -3.35 11.54% CHEMBL575060 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -3.80 N/A N/A 8.33% CHEMBL593494 N/A N/A
HRH2_HUMAN histamine receptor H2 -3.51 -3.08 -3.65 5.88% CHEMBL13795 Inactive 99.99%
HRH3_HUMAN histamine receptor H3 -3.39 -3.08 -2.77 17.65% CHEMBL1190 Inactive 99.99%
HRH4_HUMAN histamine receptor H4 -3.21 -3.23 -2.83 6.90% CHEMBL12344 Inactive 99.99%
MC3R_HUMAN melanocortin 3 receptor -3.54 -3.36 -3.32 4.35% CHEMBL407135 Inactive 99.99%
MC4R_HUMAN melanocortin 4 receptor -2.91 -2.84 -3.19 6.25% CHEMBL371896 Inactive 99.99%
MC5R_HUMAN melanocortin 5 receptor -2.63 -3.40 -3.27 4.35% CHEMBL407135 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -3.43 -2.98 -3.13 4.41% CHEMBL267020 Inactive 99.99%
NK1R_HUMAN tachykinin receptor 1 -3.01 -3.25 -2.69 5.45% CHEMBL305274 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -3.48 -3.53 -3.36 5.36% CHEMBL17157 Inactive 99.99%
NPBW1_HUMAN neuropeptides B and W receptor 1 -3.18 -2.90 -2.75 2.33% CHEMBL1999570 Inactive 99.99%
NPFF1_HUMAN neuropeptide FF receptor 1 -3.18 -2.77 -3.24 3.75% CHEMBL3361417 Inactive 99.99%
NPSR1_HUMAN neuropeptide S receptor 1 -3.19 -3.20 -3.32 3.49% CHEMBL3086828 Inactive 99.99%
NPY1R_HUMAN neuropeptide Y receptor Y1 -3.16 -3.48 -3.44 5.88% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -3.03 -2.84 -2.98 5.88% CHEMBL3559801 Inactive 99.99%
NPY4R_HUMAN neuropeptide Y receptor Y4 -2.82 -2.74 -2.77 5.88% CHEMBL3559801 Inactive 99.99%
NPY5R_HUMAN neuropeptide Y receptor Y5 -2.92 -3.01 -2.88 5.88% CHEMBL3559801 Inactive 99.99%
OPRD_HUMAN opioid receptor delta 1 -3.36 -2.80 -2.98 6.38% CHEMBL411 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -3.69 -3.41 -3.49 12.00% CHEMBL2432039 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -3.26 -3.11 -3.16 25.00% CHEMBL123693 Inactive 99.99%
OPRX_HUMAN opioid related nociceptin receptor 1 -2.84 -2.86 -3.02 6.25% CHEMBL53256 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -3.31 -3.34 -3.64 4.05% CHEMBL514432 Inactive 99.99%
TAAR1_HUMAN trace amine associated receptor 1 -3.49 -3.27 -3.64 11.11% CHEMBL19393 Inactive 99.99%
TSHR_HUMAN thyroid stimulating hormone receptor -3.19 -3.09 -3.44 3.09% CHEMBL3908443 Inactive 99.99%
V1AR_HUMAN arginine vasopressin receptor 1A -3.87 -3.68 -3.30 4.35% CHEMBL1083095 Inactive 99.99%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -3.18 -3.35 -3.18 2.14% CHEMBL484952 N/A N/A