CCCtest #233 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 -2.44 -2.28 -2.69 11.11% CHEMBL158973 Inactive 99.99%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -2.55 -2.59 -2.79 6.06% CHEMBL342704 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -2.62 -2.63 -2.40 5.13% CHEMBL73281 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -2.60 -2.75 -2.86 3.17% CHEMBL39 Inactive 99.99%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -2.53 -2.58 -2.66 3.17% CHEMBL39 Inactive 99.99%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -3.09 -2.94 N/A 11.11% CHEMBL158973 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -2.41 -2.53 -2.42 7.14% CHEMBL471839 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -2.79 -2.95 N/A 7.14% CHEMBL471839 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -2.57 -2.64 -2.66 3.39% CHEMBL371300 Inactive 99.99%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -2.81 -3.16 -2.33 3.28% CHEMBL189262 Inactive 99.99%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -2.44 -2.49 -2.56 7.41% CHEMBL98511 Inactive 99.99%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -2.33 -2.66 -2.55 11.11% CHEMBL158973 Inactive 99.99%
AA1R_HUMAN adenosine A1 receptor -2.90 -2.37 -2.45 5.56% CHEMBL3314905 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -2.71 -2.57 -2.44 5.56% CHEMBL3314905 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -2.63 -2.47 -2.47 2.78% CHEMBL39986 Inactive 99.99%
AA3R_HUMAN adenosine A3 receptor -2.62 -2.79 -2.48 7.69% CHEMBL575060 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -2.58 -3.03 N/A 8.70% CHEMBL75880 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -2.72 -2.56 -2.65 8.33% CHEMBL2030626 Inactive 99.99%
ACM3_HUMAN cholinergic receptor muscarinic 3 -2.90 -2.55 -2.96 8.70% CHEMBL75880 Inactive 99.99%
ACM4_HUMAN cholinergic receptor muscarinic 4 -2.72 -2.47 N/A 8.70% CHEMBL75880 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -2.49 -2.63 -2.63 8.70% CHEMBL75880 Inactive 99.99%
ACTHR_HUMAN melanocortin 2 receptor -3.71 -3.55 -3.16 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -2.67 -2.89 -3.32 4.76% CHEMBL648 Inactive 99.99%
ADA2A_HUMAN adrenoceptor alpha 2A -2.61 -2.46 -2.57 6.90% CHEMBL334255 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -2.63 -2.77 -2.69 6.90% CHEMBL334255 Inactive 99.99%
ADA2C_HUMAN adrenoceptor alpha 2C -2.84 -2.78 -2.70 8.70% CHEMBL2030634 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -3.09 -2.44 -2.35 4.26% CHEMBL27 Inactive 99.99%
ADRB2_HUMAN adrenoceptor beta 2 -2.58 -2.73 -2.72 4.26% CHEMBL275742 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -2.69 -2.74 -2.68 4.55% CHEMBL1437 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -2.75 -3.07 -3.09 2.17% CHEMBL290829 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -2.74 -2.79 -2.69 3.45% CHEMBL121565 Inactive 99.99%
CALCR_HUMAN calcitonin receptor -2.55 -2.66 -3.15 1.42% CHEMBL2369895 Inactive 99.99%
CCKAR_HUMAN cholecystokinin A receptor -2.82 -2.75 -2.86 2.17% CHEMBL317181 Inactive 99.99%
CCR1_HUMAN C-C motif chemokine receptor 1 -2.89 -2.74 -2.80 3.23% CHEMBL33761 Inactive 99.99%
CCR2_HUMAN C-C motif chemokine receptor 2 -2.82 -2.71 -2.72 4.55% CHEMBL18442 Inactive 99.99%
CCR4_HUMAN C-C motif chemokine receptor 4 -2.28 -2.50 -2.84 2.86% CHEMBL1618631 Inactive 99.99%
CCR5_HUMAN C-C motif chemokine receptor 5 -3.08 -2.16 -3.03 3.85% CHEMBL441635 Inactive 99.99%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -3.05 -2.72 -3.12 2.30% CHEMBL22776 Inactive 99.99%
CNR1_HUMAN cannabinoid receptor 1 -2.32 -2.77 -3.00 5.00% CHEMBL146346 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -2.87 -2.73 N/A 9.52% CHEMBL3360190 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -2.67 N/A N/A 3.45% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -3.12 -2.51 -2.18 3.45% CHEMBL191413 Inactive 99.99%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -2.61 -2.58 -2.70 4.00% CHEMBL2205723 Inactive 99.99%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -3.19 -2.23 -2.54 4.55% CHEMBL18442 N/A N/A
DRD1_HUMAN dopamine receptor D1 -2.51 -2.87 -2.61 5.56% CHEMBL59 Inactive 99.99%
DRD2_HUMAN dopamine receptor D2 -2.99 N/A N/A 11.11% CHEMBL158973 N/A N/A
DRD3_HUMAN dopamine receptor D3 -2.53 N/A N/A 5.56% CHEMBL59 N/A N/A
DRD4_HUMAN dopamine receptor D4 -2.55 -2.57 N/A 5.56% CHEMBL59 N/A N/A
DRD5_HUMAN dopamine receptor D5 -2.84 -3.50 -2.63 4.44% CHEMBL201525 Inactive 99.99%
EDNRA_HUMAN endothelin receptor type A -2.90 -2.90 -2.84 3.12% CHEMBL290026 Inactive 99.99%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -2.64 -2.80 -3.18 2.08% CHEMBL392394 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -3.19 -2.94 -2.00 2.50% CHEMBL38874 Inactive 99.99%
GRM1_HUMAN glutamate metabotropic receptor 1 -2.74 -2.71 -2.71 5.71% CHEMBL38499 Inactive 99.99%
GRM2_HUMAN glutamate metabotropic receptor 2 -2.81 -2.93 -2.83 6.25% CHEMBL280563 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -2.85 -2.90 -2.72 7.69% CHEMBL575060 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 -2.97 -2.82 -2.96 4.76% CHEMBL33567 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -2.57 -3.33 -3.29 5.88% CHEMBL1783985 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -2.83 -2.88 -2.93 6.25% CHEMBL280563 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -2.69 -2.64 -2.67 2.30% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -2.77 -2.71 -2.78 7.69% CHEMBL575060 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -3.16 N/A N/A 5.56% CHEMBL47482 N/A N/A
HRH2_HUMAN histamine receptor H2 -2.90 -2.59 -3.40 3.92% CHEMBL13795 Inactive 99.99%
HRH3_HUMAN histamine receptor H3 -2.84 -2.57 -2.33 11.76% CHEMBL1190 Inactive 99.99%
HRH4_HUMAN histamine receptor H4 -2.69 -2.70 -2.59 7.14% CHEMBL12344 Inactive 99.99%
MC3R_HUMAN melanocortin 3 receptor -3.05 -2.80 -2.38 2.90% CHEMBL407135 Inactive 99.99%
MC4R_HUMAN melanocortin 4 receptor -2.47 -2.33 -2.64 5.26% CHEMBL195009 Inactive 99.99%
MC5R_HUMAN melanocortin 5 receptor -2.19 -2.78 -3.09 2.90% CHEMBL407135 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -2.80 -2.61 -2.67 2.94% CHEMBL267020 Inactive 99.99%
NK1R_HUMAN tachykinin receptor 1 -2.88 -2.62 -2.29 3.85% CHEMBL71498 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -2.90 -2.83 -2.69 3.57% CHEMBL17157 Inactive 99.99%
NPBW1_HUMAN neuropeptides B and W receptor 1 -2.73 -2.41 -2.25 1.64% CHEMBL2000406 Inactive 99.99%
NPFF1_HUMAN neuropeptide FF receptor 1 -3.06 -2.85 -2.42 3.17% CHEMBL575058 Inactive 99.99%
NPSR1_HUMAN neuropeptide S receptor 1 -2.93 -3.16 -2.74 2.33% CHEMBL3086828 Inactive 99.99%
NPY1R_HUMAN neuropeptide Y receptor Y1 -2.61 -2.95 -2.90 3.92% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -2.61 -2.46 -2.44 3.92% CHEMBL3559801 Inactive 99.99%
NPY4R_HUMAN neuropeptide Y receptor Y4 -2.74 -2.28 -2.33 3.92% CHEMBL3559801 Inactive 99.99%
NPY5R_HUMAN neuropeptide Y receptor Y5 -2.47 -2.54 -2.95 3.92% CHEMBL3559801 Inactive 99.99%
OPRD_HUMAN opioid receptor delta 1 -2.74 -2.32 -2.55 4.44% CHEMBL127346 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -2.65 -2.64 -3.01 8.00% CHEMBL2432039 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -2.72 -2.74 -2.52 16.67% CHEMBL123693 Inactive 99.99%
OPRX_HUMAN opioid related nociceptin receptor 1 -2.46 -2.54 -2.65 4.17% CHEMBL53256 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -2.83 -2.75 -3.07 2.70% CHEMBL514432 Inactive 99.99%
TAAR1_HUMAN trace amine associated receptor 1 -2.87 -2.66 -2.84 8.70% CHEMBL508991 Inactive 99.99%
TSHR_HUMAN thyroid stimulating hormone receptor -2.74 -2.54 -2.86 2.06% CHEMBL3908443 Inactive 99.99%
V1AR_HUMAN arginine vasopressin receptor 1A -2.47 -3.02 -2.26 2.90% CHEMBL1083095 Inactive 99.99%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -2.80 -2.85 -2.63 1.43% CHEMBL484952 N/A N/A