TestNK #209 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 -10.49 -8.81 -10.61 39.64% CHEMBL1088072 Active 67.25%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -11.20 -11.15 -10.56 36.36% CHEMBL159381 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -10.50 -10.14 -10.84 36.36% CHEMBL348304 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -11.30 -9.68 -10.01 24.42% CHEMBL103479 Active 57.48%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -9.85 -11.74 -11.21 26.92% CHEMBL320198 Inactive 63.72%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -10.52 -12.06 N/A 41.62% CHEMBL328662 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -11.36 -10.94 -11.31 38.56% CHEMBL422931 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -10.88 -10.70 N/A 41.62% CHEMBL328662 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -10.92 -10.65 -10.69 34.74% CHEMBL3741508 Inactive 77.88%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -11.28 -8.39 -8.81 28.72% CHEMBL403102 Inactive 83.97%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -9.52 -9.63 -9.71 29.86% CHEMBL900 Active 54.78%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -11.87 -10.33 -10.53 36.78% CHEMBL329566 Inactive 55.91%
AA1R_HUMAN adenosine A1 receptor -10.24 -10.53 -8.31 34.09% CHEMBL3763434 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -9.84 -10.08 -10.89 36.10% CHEMBL3911977 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -10.67 -10.82 -9.95 28.33% CHEMBL202828 Inactive 74.64%
AA3R_HUMAN adenosine A3 receptor -6.00 -1.48 -6.13 35.33% CHEMBL197027 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -9.35 8.75 N/A 34.38% CHEMBL2110892 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -10.96 -10.18 -9.00 37.85% CHEMBL51096 Active 56.39%
ACM3_HUMAN cholinergic receptor muscarinic 3 -10.63 -10.96 -10.72 40.36% CHEMBL1921938 Active 64.47%
ACM4_HUMAN cholinergic receptor muscarinic 4 -9.84 -8.34 N/A 34.81% CHEMBL292857 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -11.50 -12.29 -11.31 34.19% CHEMBL2042554 Active 88.48%
ACTHR_HUMAN melanocortin 2 receptor -11.41 -10.83 -11.25 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -10.36 -9.96 -8.74 39.64% CHEMBL1088072 Active 61.77%
ADA2A_HUMAN adrenoceptor alpha 2A -0.49 -0.70 2.39 36.78% CHEMBL329566 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -10.61 -10.84 -9.05 31.58% CHEMBL60889 Inactive 65.27%
ADA2C_HUMAN adrenoceptor alpha 2C 0.70 2.96 2.46 36.78% CHEMBL329566 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -11.35 -10.09 -9.84 30.06% CHEMBL1084891 Active 68.20%
ADRB2_HUMAN adrenoceptor beta 2 -8.70 -9.15 -11.02 33.50% CHEMBL235612 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -12.15 -10.31 -10.89 42.33% CHEMBL4087670 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -11.71 -11.57 -12.11 27.80% CHEMBL444065 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -11.42 -10.77 -11.39 27.78% CHEMBL559506 Inactive 59.17%
CALCR_HUMAN calcitonin receptor -8.00 -8.72 -9.53 19.92% CHEMBL2369907 Inactive 97.54%
CCKAR_HUMAN cholecystokinin A receptor -10.25 -8.81 -9.59 27.80% CHEMBL250974 Inactive 69.24%
CCR1_HUMAN C-C motif chemokine receptor 1 -9.94 -9.72 -9.94 33.33% CHEMBL254316 Inactive 51.64%
CCR2_HUMAN C-C motif chemokine receptor 2 -9.92 -9.28 -8.65 40.11% CHEMBL3589845 Active 53.79%
CCR4_HUMAN C-C motif chemokine receptor 4 -9.11 -8.77 -7.84 34.68% CHEMBL1907216 Inactive 63.88%
CCR5_HUMAN C-C motif chemokine receptor 5 -9.59 -10.21 -9.22 39.22% CHEMBL1077353 Inactive 57.46%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -10.42 -10.74 -11.70 29.44% CHEMBL419796 Active 56.23%
CNR1_HUMAN cannabinoid receptor 1 -8.44 -10.64 -11.37 35.48% CHEMBL274983 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -10.91 -11.95 N/A 40.20% CHEMBL1760931 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -1.99 N/A N/A 27.54% CHEMBL3609018 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -9.87 -9.72 -8.91 30.45% CHEMBL3980279 Inactive 72.55%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -11.19 -11.14 -10.70 38.43% CHEMBL230453 Active 69.90%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -11.03 -8.30 -8.75 33.55% CHEMBL3948266 N/A N/A
DRD1_HUMAN dopamine receptor D1 -9.97 -10.82 -10.04 36.78% CHEMBL329566 Active 50.53%
DRD2_HUMAN dopamine receptor D2 -10.04 N/A N/A 38.46% CHEMBL109299 N/A N/A
DRD3_HUMAN dopamine receptor D3 -9.49 N/A N/A 38.46% CHEMBL109299 N/A N/A
DRD4_HUMAN dopamine receptor D4 -12.13 -12.31 N/A 38.56% CHEMBL3335543 N/A N/A
DRD5_HUMAN dopamine receptor D5 -11.24 -10.78 -10.24 26.23% CHEMBL116463 Active 79.56%
EDNRA_HUMAN endothelin receptor type A -9.72 -9.11 -8.46 36.32% CHEMBL96614 Inactive 58.12%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 8.52 -2.53 23.30 22.28% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -10.11 -7.95 -7.54 35.56% CHEMBL50986 Inactive 60.65%
GRM1_HUMAN glutamate metabotropic receptor 1 -10.60 -8.44 -8.82 33.33% CHEMBL233708 Inactive 64.94%
GRM2_HUMAN glutamate metabotropic receptor 2 3.93 6.30 6.05 35.12% CHEMBL4092105 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -1.70 -4.17 -2.72 28.98% CHEMBL3927108 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 2.63 1.98 1.53 26.26% CHEMBL3609737 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -5.30 -4.63 -4.15 35.45% CHEMBL3922815 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -0.26 -6.53 -2.18 19.57% CHEMBL1585091 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 0.65 3.59 1.89 24.42% CHEMBL3560922 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 4.52 2.83 3.98 24.42% CHEMBL3560922 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -7.19 N/A N/A 41.62% CHEMBL328662 N/A N/A
HRH2_HUMAN histamine receptor H2 -10.91 -10.17 -10.00 38.56% CHEMBL422931 Active 98.08%
HRH3_HUMAN histamine receptor H3 -9.58 -10.23 -11.02 36.02% CHEMBL571006 Inactive 54.19%
HRH4_HUMAN histamine receptor H4 -9.55 -7.44 -9.02 29.41% CHEMBL1938971 Inactive 72.91%
MC3R_HUMAN melanocortin 3 receptor -11.33 -10.89 -9.48 34.48% CHEMBL380437 Inactive 55.09%
MC4R_HUMAN melanocortin 4 receptor -8.63 -8.18 -8.45 37.80% CHEMBL214988 Inactive 78.83%
MC5R_HUMAN melanocortin 5 receptor -8.18 -10.59 -6.49 32.99% CHEMBL3890450 Inactive 95.69%
MSHR_HUMAN melanocortin 1 receptor -10.12 -9.80 -9.89 34.48% CHEMBL380437 Inactive 56.82%
NK1R_HUMAN tachykinin receptor 1 -11.57 -11.71 -12.56 100.00% CHEMBL1471 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -9.34 -9.82 -9.86 94.07% CHEMBL52330 Active 99.61%
NPBW1_HUMAN neuropeptides B and W receptor 1 -10.36 -10.10 -9.72 23.28% CHEMBL1940539 Inactive 70.13%
NPFF1_HUMAN neuropeptide FF receptor 1 -9.52 -9.68 -9.72 24.28% CHEMBL472833 Inactive 75.72%
NPSR1_HUMAN neuropeptide S receptor 1 -10.67 -10.72 -10.89 27.91% CHEMBL469695 Active 75.75%
NPY1R_HUMAN neuropeptide Y receptor Y1 -10.38 -10.25 -10.24 27.49% CHEMBL2046863 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -9.52 -10.33 -10.26 30.57% CHEMBL3104179 Inactive 69.30%
NPY4R_HUMAN neuropeptide Y receptor Y4 -10.64 -11.11 -10.01 26.24% CHEMBL2440912 Inactive 99.67%
NPY5R_HUMAN neuropeptide Y receptor Y5 -10.04 -10.11 -10.09 33.17% CHEMBL492377 Active 67.08%
OPRD_HUMAN opioid receptor delta 1 -9.17 -8.82 -9.79 37.23% CHEMBL3609618 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -12.79 -9.53 -10.04 34.52% CHEMBL4100943 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -10.94 -8.72 -9.78 37.66% CHEMBL228687 Inactive 54.33%
OPRX_HUMAN opioid related nociceptin receptor 1 -9.71 -9.84 -8.93 38.69% CHEMBL1783823 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -10.56 -10.30 -10.71 36.84% CHEMBL37358 Active 62.78%
TAAR1_HUMAN trace amine associated receptor 1 -10.57 -11.20 -11.75 37.96% CHEMBL1446878 Inactive 71.48%
TSHR_HUMAN thyroid stimulating hormone receptor -10.04 -12.02 -10.44 26.94% CHEMBL1708839 Inactive 67.09%
V1AR_HUMAN arginine vasopressin receptor 1A -9.91 -9.17 -10.74 34.58% CHEMBL1837024 Inactive 73.63%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -9.08 -10.39 -10.38 23.18% CHEMBL520349 N/A N/A