test #53 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 -3.35 -3.12 -3.30 10.00% CHEMBL158973 Inactive 99.99%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -3.57 -3.59 -3.58 7.55% CHEMBL146942 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -3.45 -3.59 -3.77 6.67% CHEMBL138907 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -3.50 -3.76 -3.82 3.39% CHEMBL105261 Inactive 99.99%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -3.54 -3.61 -3.65 4.55% CHEMBL103424 Inactive 99.99%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -3.43 -3.51 N/A 13.79% CHEMBL334255 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -3.60 -3.48 -3.46 11.76% CHEMBL452719 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -3.67 -3.73 N/A 13.79% CHEMBL334255 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -3.70 -3.66 -3.63 4.71% CHEMBL1258560 Inactive 99.99%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -3.75 -3.40 -3.16 6.56% CHEMBL189262 Inactive 99.99%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -3.39 -3.10 -3.61 14.81% CHEMBL98511 Inactive 99.99%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -3.31 -3.79 -3.55 10.00% CHEMBL158973 Inactive 99.99%
AA1R_HUMAN adenosine A1 receptor -3.64 -3.38 -3.53 11.11% CHEMBL3314905 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -3.49 -3.59 -3.32 11.11% CHEMBL3314905 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -3.54 -3.49 -3.30 5.26% CHEMBL302344 Inactive 99.99%
AA3R_HUMAN adenosine A3 receptor -3.72 -3.77 -3.17 15.38% CHEMBL575060 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -3.66 -4.39 N/A 17.39% CHEMBL75880 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -3.76 -3.34 -3.75 16.67% CHEMBL2030626 Inactive 99.99%
ACM3_HUMAN cholinergic receptor muscarinic 3 -3.80 -3.62 -4.10 17.39% CHEMBL75880 Inactive 99.99%
ACM4_HUMAN cholinergic receptor muscarinic 4 -3.73 -3.51 N/A 17.39% CHEMBL75880 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -3.38 -3.42 -3.59 17.39% CHEMBL75880 Inactive 99.99%
ACTHR_HUMAN melanocortin 2 receptor -4.80 -4.68 -3.98 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -3.34 -3.44 -3.95 7.55% CHEMBL533979 Inactive 99.99%
ADA2A_HUMAN adrenoceptor alpha 2A -3.64 -3.65 -3.65 13.79% CHEMBL334255 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -3.78 -3.81 -3.94 13.79% CHEMBL334255 Inactive 99.99%
ADA2C_HUMAN adrenoceptor alpha 2C -3.79 -3.92 -3.82 17.39% CHEMBL2030634 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -3.56 -3.46 -3.26 5.56% CHEMBL12994 Inactive 99.99%
ADRB2_HUMAN adrenoceptor beta 2 -3.70 -3.96 -3.86 6.67% CHEMBL1800960 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -3.65 -3.72 -3.77 5.56% CHEMBL12994 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -4.31 -4.32 -4.24 4.26% CHEMBL376286 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -3.77 -3.69 -3.78 6.90% CHEMBL121565 Inactive 99.99%
CALCR_HUMAN calcitonin receptor -3.49 -3.45 -3.11 2.84% CHEMBL2369895 Inactive 99.99%
CCKAR_HUMAN cholecystokinin A receptor -4.15 -3.62 -4.03 4.17% CHEMBL262444 Inactive 99.99%
CCR1_HUMAN C-C motif chemokine receptor 1 -3.84 -3.99 -3.95 6.45% CHEMBL33761 Inactive 99.99%
CCR2_HUMAN C-C motif chemokine receptor 2 -4.01 -3.43 -3.69 5.71% CHEMBL2036772 Inactive 99.99%
CCR4_HUMAN C-C motif chemokine receptor 4 -2.99 -3.25 -4.13 4.65% CHEMBL1621896 Inactive 99.99%
CCR5_HUMAN C-C motif chemokine receptor 5 -4.18 -4.07 -3.97 7.69% CHEMBL441635 Inactive 99.99%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -4.25 -4.10 -4.27 4.60% CHEMBL22776 Inactive 99.99%
CNR1_HUMAN cannabinoid receptor 1 -3.42 -3.75 -4.11 10.00% CHEMBL146346 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -3.80 -3.83 N/A 19.05% CHEMBL3360190 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -3.72 N/A N/A 5.08% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -3.72 -3.34 -2.92 5.08% CHEMBL191413 Inactive 99.99%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -3.63 -3.54 -3.59 8.00% CHEMBL2205723 Inactive 99.99%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -4.05 -3.17 -3.64 8.16% CHEMBL2170299 N/A N/A
DRD1_HUMAN dopamine receptor D1 -3.50 -3.62 -3.63 7.55% CHEMBL21731 Inactive 99.99%
DRD2_HUMAN dopamine receptor D2 -3.74 N/A N/A 10.00% CHEMBL158973 N/A N/A
DRD3_HUMAN dopamine receptor D3 -3.60 N/A N/A 9.30% CHEMBL1196271 N/A N/A
DRD4_HUMAN dopamine receptor D4 -3.58 -3.66 N/A 7.69% CHEMBL162762 N/A N/A
DRD5_HUMAN dopamine receptor D5 -3.80 -3.77 -3.68 7.55% CHEMBL21731 Inactive 99.99%
EDNRA_HUMAN endothelin receptor type A -3.99 -4.12 -4.04 6.25% CHEMBL290026 Inactive 99.99%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -3.76 -3.92 -4.60 4.17% CHEMBL392394 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -3.36 -4.04 -2.84 4.44% CHEMBL346784 Inactive 99.99%
GRM1_HUMAN glutamate metabotropic receptor 1 -3.87 -3.84 -3.72 11.43% CHEMBL38499 Inactive 99.99%
GRM2_HUMAN glutamate metabotropic receptor 2 -4.03 -4.19 -4.02 12.50% CHEMBL280563 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -4.03 -4.22 -4.05 15.38% CHEMBL575060 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 -3.86 -3.96 -3.99 7.41% CHEMBL229697 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -3.68 -4.45 -4.44 11.76% CHEMBL1783985 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -3.95 -4.07 -4.04 12.50% CHEMBL280563 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 -3.72 -3.81 -3.82 4.60% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -3.86 -3.85 -3.90 15.38% CHEMBL575060 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -4.10 N/A N/A 10.26% CHEMBL594138 N/A N/A
HRH2_HUMAN histamine receptor H2 -3.98 -3.59 -4.06 7.55% CHEMBL418470 Inactive 99.99%
HRH3_HUMAN histamine receptor H3 -3.83 -3.28 -3.09 23.53% CHEMBL1190 Inactive 99.99%
HRH4_HUMAN histamine receptor H4 -3.61 -3.65 -3.27 8.70% CHEMBL1824228 Inactive 99.99%
MC3R_HUMAN melanocortin 3 receptor -4.09 -4.00 -3.86 5.80% CHEMBL407135 Inactive 99.99%
MC4R_HUMAN melanocortin 4 receptor -3.17 -3.24 -3.72 8.16% CHEMBL195998 Inactive 99.99%
MC5R_HUMAN melanocortin 5 receptor -3.04 -3.77 -3.46 5.80% CHEMBL407135 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -4.07 -3.43 -3.88 5.88% CHEMBL267020 Inactive 99.99%
NK1R_HUMAN tachykinin receptor 1 -3.28 -3.44 -3.20 7.02% CHEMBL143813 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -3.83 -3.73 -3.80 7.14% CHEMBL17157 Inactive 99.99%
NPBW1_HUMAN neuropeptides B and W receptor 1 -3.05 -3.26 -3.17 3.10% CHEMBL1999570 Inactive 99.99%
NPFF1_HUMAN neuropeptide FF receptor 1 -3.50 -3.68 -3.54 5.00% CHEMBL3361417 Inactive 99.99%
NPSR1_HUMAN neuropeptide S receptor 1 -3.95 -3.66 -3.78 4.65% CHEMBL3086828 Inactive 99.99%
NPY1R_HUMAN neuropeptide Y receptor Y1 -3.60 -3.73 -3.59 7.84% CHEMBL3559801 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -3.33 -3.06 -3.29 7.84% CHEMBL3559801 Inactive 99.99%
NPY4R_HUMAN neuropeptide Y receptor Y4 -3.80 -3.25 -3.02 7.84% CHEMBL3559801 Inactive 99.99%
NPY5R_HUMAN neuropeptide Y receptor Y5 -3.30 -3.25 -3.18 7.84% CHEMBL3559801 Inactive 99.99%
OPRD_HUMAN opioid receptor delta 1 -3.52 -3.05 -3.38 8.00% CHEMBL4094512 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -3.81 -3.85 -4.01 16.00% CHEMBL2432039 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -3.83 -3.15 -3.49 33.33% CHEMBL123693 Inactive 99.99%
OPRX_HUMAN opioid related nociceptin receptor 1 -3.28 -3.16 -3.32 8.33% CHEMBL53256 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -3.98 -3.98 -4.18 5.41% CHEMBL514432 Inactive 99.99%
TAAR1_HUMAN trace amine associated receptor 1 -3.85 -3.86 -3.48 10.71% CHEMBL19393 Inactive 99.99%
TSHR_HUMAN thyroid stimulating hormone receptor -3.69 -3.52 -3.82 4.12% CHEMBL3908443 Inactive 99.99%
V1AR_HUMAN arginine vasopressin receptor 1A -3.49 -3.32 -3.43 5.80% CHEMBL1083095 Inactive 99.99%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -3.62 -3.71 -3.56 2.56% CHEMBL483749 N/A N/A