CC #21 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 -1.83 -1.54 -2.14 5.56% CHEMBL158973 Inactive 99.99%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -1.92 -1.84 -2.08 3.57% CHEMBL337539 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -1.87 -1.75 -1.77 3.03% CHEMBL277120 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -1.93 -2.11 -1.72 1.59% CHEMBL39 Inactive 99.99%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -1.85 -2.25 -1.92 1.59% CHEMBL39 Inactive 99.99%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -2.20 -2.17 N/A 5.56% CHEMBL158973 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -1.65 -1.82 -1.76 3.57% CHEMBL471839 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -2.13 -2.12 N/A 3.57% CHEMBL471839 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -1.85 -1.90 -1.92 1.69% CHEMBL371300 Inactive 99.99%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -2.15 -1.47 -1.98 3.03% CHEMBL277120 Inactive 99.99%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -1.73 -1.89 -1.61 3.70% CHEMBL98511 Inactive 99.99%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -1.99 -1.73 -1.91 5.56% CHEMBL158973 Inactive 99.99%
AA1R_HUMAN adenosine A1 receptor -2.01 -1.70 -1.74 2.78% CHEMBL3314905 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -1.92 -1.79 -1.64 2.78% CHEMBL3314905 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -2.02 -1.88 -1.92 1.72% CHEMBL1487093 Inactive 99.99%
AA3R_HUMAN adenosine A3 receptor -1.82 -2.02 -1.76 3.85% CHEMBL575060 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -1.85 -2.05 N/A 4.35% CHEMBL667 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -1.90 -1.86 -1.87 4.35% CHEMBL667 Inactive 99.99%
ACM3_HUMAN cholinergic receptor muscarinic 3 -2.05 -1.90 -2.14 4.35% CHEMBL667 Inactive 99.99%
ACM4_HUMAN cholinergic receptor muscarinic 4 -1.81 -1.82 N/A 4.35% CHEMBL667 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -2.10 -2.08 -1.90 4.35% CHEMBL667 Inactive 99.99%
ACTHR_HUMAN melanocortin 2 receptor -2.51 -2.44 -2.03 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -1.99 -2.06 -2.34 2.38% CHEMBL648 Inactive 99.99%
ADA2A_HUMAN adrenoceptor alpha 2A -1.93 -1.73 -1.79 3.45% CHEMBL334255 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -1.84 -1.93 -1.92 3.45% CHEMBL334255 Inactive 99.99%
ADA2C_HUMAN adrenoceptor alpha 2C -1.99 -2.02 -1.92 4.35% CHEMBL2030634 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -2.12 -1.67 -1.94 2.27% CHEMBL2335160 Inactive 99.99%
ADRB2_HUMAN adrenoceptor beta 2 -1.82 -1.92 -1.87 2.13% CHEMBL275742 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -2.01 -1.87 -1.95 2.27% CHEMBL1437 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -2.21 -1.92 -1.91 1.09% CHEMBL290829 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -1.91 -1.95 -2.04 1.72% CHEMBL121565 Inactive 99.99%
CALCR_HUMAN calcitonin receptor -1.93 -2.03 -2.16 0.71% CHEMBL2369895 Inactive 99.99%
CCKAR_HUMAN cholecystokinin A receptor -2.11 -2.08 -2.00 1.09% CHEMBL317181 Inactive 99.99%
CCR1_HUMAN C-C motif chemokine receptor 1 -1.98 -1.90 -1.99 1.61% CHEMBL33761 Inactive 99.99%
CCR2_HUMAN C-C motif chemokine receptor 2 -1.60 -1.82 -2.01 3.12% CHEMBL964 Inactive 99.99%
CCR4_HUMAN C-C motif chemokine receptor 4 -1.45 -1.77 -2.06 1.43% CHEMBL1618631 Inactive 99.99%
CCR5_HUMAN C-C motif chemokine receptor 5 -2.04 -1.57 -1.85 1.92% CHEMBL441635 Inactive 99.99%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -2.06 -2.03 -2.20 1.23% CHEMBL127842 Inactive 99.99%
CNR1_HUMAN cannabinoid receptor 1 -1.89 -2.05 -2.19 2.50% CHEMBL146346 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -2.00 -1.91 N/A 4.76% CHEMBL3360190 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -2.09 N/A N/A 1.72% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -2.13 -1.78 -1.76 1.72% CHEMBL191413 Inactive 99.99%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -1.80 -1.92 -1.88 2.00% CHEMBL2205723 Inactive 99.99%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -2.19 -1.56 -1.81 2.27% CHEMBL18442 N/A N/A
DRD1_HUMAN dopamine receptor D1 -1.80 -2.27 -2.09 2.78% CHEMBL59 Inactive 99.99%
DRD2_HUMAN dopamine receptor D2 -1.64 N/A N/A 5.56% CHEMBL158973 N/A N/A
DRD3_HUMAN dopamine receptor D3 -1.82 N/A N/A 3.12% CHEMBL964 N/A N/A
DRD4_HUMAN dopamine receptor D4 -1.79 -2.04 N/A 2.78% CHEMBL59 N/A N/A
DRD5_HUMAN dopamine receptor D5 -1.97 -1.92 -1.86 2.22% CHEMBL201525 Inactive 99.99%
EDNRA_HUMAN endothelin receptor type A -2.06 -2.03 -1.98 1.56% CHEMBL290026 Inactive 99.99%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -1.84 -2.08 -2.26 1.04% CHEMBL392394 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -2.27 -1.99 -1.58 1.25% CHEMBL38874 Inactive 99.99%
GRM1_HUMAN glutamate metabotropic receptor 1 -1.92 -1.97 -1.98 2.86% CHEMBL38499 Inactive 99.99%
GRM2_HUMAN glutamate metabotropic receptor 2 -1.95 -2.04 -1.97 3.12% CHEMBL280563 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -1.95 -1.98 -1.93 3.85% CHEMBL575060 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 -2.16 -2.01 -2.09 2.38% CHEMBL33567 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -1.75 -2.33 -2.35 2.94% CHEMBL1783985 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -1.98 -2.01 -2.03 3.12% CHEMBL280563 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -1.85 -1.96 -1.82 1.15% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -1.90 -1.86 -1.94 3.85% CHEMBL575060 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -2.27 N/A N/A 2.78% CHEMBL47482 N/A N/A
HRH2_HUMAN histamine receptor H2 -2.40 -2.30 -2.02 1.96% CHEMBL13795 Inactive 99.99%
HRH3_HUMAN histamine receptor H3 -2.07 -1.77 -1.55 5.88% CHEMBL1190 Inactive 99.99%
HRH4_HUMAN histamine receptor H4 -2.25 -1.98 -2.12 5.00% CHEMBL539343 Inactive 99.99%
MC3R_HUMAN melanocortin 3 receptor -2.28 -1.92 -1.86 1.45% CHEMBL407135 Inactive 99.99%
MC4R_HUMAN melanocortin 4 receptor -1.85 -1.77 -1.84 2.63% CHEMBL195009 Inactive 99.99%
MC5R_HUMAN melanocortin 5 receptor -1.62 -2.07 -2.40 1.45% CHEMBL407135 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -1.88 -1.84 -2.84 1.47% CHEMBL267020 Inactive 99.99%
NK1R_HUMAN tachykinin receptor 1 -2.04 -1.83 -1.68 1.92% CHEMBL71498 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -1.99 -1.91 -2.06 1.85% CHEMBL1289 Inactive 99.99%
NPBW1_HUMAN neuropeptides B and W receptor 1 -2.17 -1.70 -1.62 0.82% CHEMBL2000406 Inactive 99.99%
NPFF1_HUMAN neuropeptide FF receptor 1 -2.23 -1.68 -2.12 1.96% CHEMBL573297 Inactive 99.99%
NPSR1_HUMAN neuropeptide S receptor 1 -2.09 -2.23 -1.93 1.16% CHEMBL3086828 Inactive 99.99%
NPY1R_HUMAN neuropeptide Y receptor Y1 -1.86 -2.01 -2.03 1.96% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -2.06 -1.83 -1.77 1.96% CHEMBL3559801 Inactive 99.99%
NPY4R_HUMAN neuropeptide Y receptor Y4 -1.93 -1.63 -1.71 1.96% CHEMBL3559801 Inactive 99.99%
NPY5R_HUMAN neuropeptide Y receptor Y5 -1.70 -2.07 -1.74 1.96% CHEMBL3559801 Inactive 99.99%
OPRD_HUMAN opioid receptor delta 1 -1.92 -1.64 -1.90 2.22% CHEMBL127346 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -2.00 -1.94 -2.14 4.00% CHEMBL2432039 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -1.99 -1.95 -2.04 8.33% CHEMBL123693 Inactive 99.99%
OPRX_HUMAN opioid related nociceptin receptor 1 -1.66 -1.91 -1.94 2.08% CHEMBL53256 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -2.11 -1.97 -2.08 1.35% CHEMBL514432 Inactive 99.99%
TAAR1_HUMAN trace amine associated receptor 1 -2.08 -1.95 -2.26 4.35% CHEMBL508991 Inactive 99.99%
TSHR_HUMAN thyroid stimulating hormone receptor -1.94 -1.84 -1.98 1.03% CHEMBL3908443 Inactive 99.99%
V1AR_HUMAN arginine vasopressin receptor 1A -1.83 -1.77 -1.82 1.45% CHEMBL1083095 Inactive 99.99%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -2.11 -2.09 -2.23 0.74% CHEMBL1784685 N/A N/A