test123 #177 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 -8.85 -6.25 -4.72 31.41% CHEMBL93186 Inactive 81.08%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -8.48 -8.35 -8.57 29.41% CHEMBL82488 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -9.15 -8.33 -9.11 29.41% CHEMBL82488 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -9.14 -7.19 -7.90 17.76% CHEMBL103479 Inactive 77.65%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -10.03 -10.90 -8.86 24.34% CHEMBL177258 Inactive 70.32%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -10.77 -2.90 N/A 42.59% CHEMBL3676853 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -10.25 -9.35 -7.42 35.88% CHEMBL1909065 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -8.82 -7.89 N/A 35.88% CHEMBL1909065 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -7.78 -7.71 -7.53 27.01% CHEMBL198226 Inactive 72.37%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -7.19 -8.68 -9.33 23.49% CHEMBL161507 Active 64.19%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -8.13 -9.00 -7.51 35.88% CHEMBL1909065 Active 52.84%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -10.54 -10.05 -8.99 36.42% CHEMBL487192 Active 52.87%
AA1R_HUMAN adenosine A1 receptor -9.44 -11.43 2.91 30.89% CHEMBL146549 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -5.83 -7.41 -5.53 26.32% CHEMBL1950653 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -9.63 -8.47 -9.77 30.22% CHEMBL4072891 Inactive 66.17%
AA3R_HUMAN adenosine A3 receptor 5.24 14.36 1.19 29.51% CHEMBL1200633 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 1.91 35.14 N/A 38.30% CHEMBL74736 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -8.38 -9.01 1.70 38.30% CHEMBL74736 Inactive 99.99%
ACM3_HUMAN cholinergic receptor muscarinic 3 -9.67 -7.10 -8.71 37.01% CHEMBL1201335 Active 52.23%
ACM4_HUMAN cholinergic receptor muscarinic 4 -2.17 -6.27 N/A 36.88% CHEMBL2377269 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -6.00 -7.63 -6.82 36.77% CHEMBL1201027 Active 73.03%
ACTHR_HUMAN melanocortin 2 receptor -8.87 -10.11 -7.49 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -8.53 -8.79 -8.18 35.88% CHEMBL1909065 Inactive 56.27%
ADA2A_HUMAN adrenoceptor alpha 2A 22.32 17.70 27.01 35.88% CHEMBL1909065 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -7.26 12.17 6.59 35.88% CHEMBL1909065 Inactive 99.99%
ADA2C_HUMAN adrenoceptor alpha 2C 26.40 31.33 32.61 35.88% CHEMBL1909065 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -9.92 -8.46 -9.75 32.05% CHEMBL1085395 Inactive 55.57%
ADRB2_HUMAN adrenoceptor beta 2 -6.35 -7.47 -8.27 33.70% CHEMBL1431082 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -10.15 -7.97 -10.34 32.05% CHEMBL1085395 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -10.02 -10.18 -9.43 22.17% CHEMBL214592 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -7.75 -7.83 -9.33 18.81% CHEMBL2372276 Inactive 88.26%
CALCR_HUMAN calcitonin receptor -8.86 -9.89 -9.93 20.31% CHEMBL2369886 Inactive 97.66%
CCKAR_HUMAN cholecystokinin A receptor -9.79 -9.66 -9.54 21.96% CHEMBL168182 Inactive 59.43%
CCR1_HUMAN C-C motif chemokine receptor 1 -9.76 -9.44 -8.04 27.32% CHEMBL69659 Inactive 74.72%
CCR2_HUMAN C-C motif chemokine receptor 2 -9.85 -9.21 -8.84 31.03% CHEMBL3263259 Inactive 64.96%
CCR4_HUMAN C-C motif chemokine receptor 4 -7.66 -7.18 -7.46 20.66% CHEMBL64391 Inactive 78.47%
CCR5_HUMAN C-C motif chemokine receptor 5 -10.09 -9.56 -9.85 34.12% CHEMBL504250 Inactive 53.53%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -8.99 -10.50 -9.99 25.60% CHEMBL3401686 Inactive 77.94%
CNR1_HUMAN cannabinoid receptor 1 -7.07 -7.46 -6.90 32.67% CHEMBL1923760 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -7.28 -10.84 N/A 36.30% CHEMBL1923778 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 15.23 N/A N/A 25.10% CHEMBL246733 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -8.68 -9.32 -9.56 25.10% CHEMBL246733 Inactive 64.01%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -10.97 -10.21 -10.77 27.46% CHEMBL3956593 Inactive 55.59%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -10.43 -8.39 -9.71 24.68% CHEMBL3923006 N/A N/A
DRD1_HUMAN dopamine receptor D1 -8.08 -8.94 -10.50 29.24% CHEMBL291143 Inactive 56.69%
DRD2_HUMAN dopamine receptor D2 -9.57 N/A N/A 42.59% CHEMBL3676853 N/A N/A
DRD3_HUMAN dopamine receptor D3 -9.69 N/A N/A 42.59% CHEMBL3676853 N/A N/A
DRD4_HUMAN dopamine receptor D4 -6.40 -5.95 N/A 32.74% CHEMBL3318835 N/A N/A
DRD5_HUMAN dopamine receptor D5 -4.35 -6.35 4.43 21.40% CHEMBL1258223 Inactive 99.99%
EDNRA_HUMAN endothelin receptor type A -9.51 -9.33 -9.33 35.71% CHEMBL103190 Inactive 60.81%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 28.02 25.02 40.22 15.34% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -9.64 -8.20 -8.54 26.15% CHEMBL103276 Inactive 66.27%
GRM1_HUMAN glutamate metabotropic receptor 1 -8.50 -5.60 8.40 36.03% CHEMBL254372 Inactive 99.99%
GRM2_HUMAN glutamate metabotropic receptor 2 34.56 30.43 33.31 42.03% CHEMBL3955458 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 18.12 20.08 13.08 42.03% CHEMBL3955458 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 28.17 34.86 27.65 20.42% CHEMBL2063423 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 15.58 24.47 20.25 24.54% CHEMBL92162 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 12.85 13.37 7.83 32.33% CHEMBL275079 Inactive 99.99%
GRM7_HUMAN glutamate metabotropic receptor 7 24.49 27.63 26.50 26.71% CHEMBL432038 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 19.82 25.30 26.02 26.71% CHEMBL432038 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 16.73 N/A N/A 27.93% CHEMBL328356 N/A N/A
HRH2_HUMAN histamine receptor H2 -9.92 -9.29 -9.57 25.97% CHEMBL422931 Active 86.07%
HRH3_HUMAN histamine receptor H3 -7.12 -7.93 -9.85 32.73% CHEMBL514217 Inactive 61.61%
HRH4_HUMAN histamine receptor H4 -7.99 -7.39 -9.49 30.12% CHEMBL105803 Inactive 50.36%
MC3R_HUMAN melanocortin 3 receptor -8.41 -8.61 -7.37 26.24% CHEMBL380437 Inactive 74.16%
MC4R_HUMAN melanocortin 4 receptor -8.87 -8.75 -8.98 26.24% CHEMBL380437 Inactive 79.00%
MC5R_HUMAN melanocortin 5 receptor -5.34 -6.18 -0.31 26.56% CHEMBL1221512 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -7.72 -6.66 -9.87 26.24% CHEMBL380437 Active 60.61%
NK1R_HUMAN tachykinin receptor 1 -11.03 -9.02 -9.57 41.96% CHEMBL378984 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -10.62 -10.42 -10.70 36.36% CHEMBL3545252 Active 67.07%
NPBW1_HUMAN neuropeptides B and W receptor 1 -9.42 -10.50 -10.60 21.61% CHEMBL1968661 Inactive 59.44%
NPFF1_HUMAN neuropeptide FF receptor 1 -10.33 -9.86 -10.03 18.18% CHEMBL1672379 Inactive 61.76%
NPSR1_HUMAN neuropeptide S receptor 1 -10.43 -9.52 -6.27 22.45% CHEMBL1800088 Active 57.01%
NPY1R_HUMAN neuropeptide Y receptor Y1 -11.45 -10.91 -10.52 27.88% CHEMBL1223993 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -10.59 -9.75 -10.06 24.90% CHEMBL3099726 Inactive 77.12%
NPY4R_HUMAN neuropeptide Y receptor Y4 -11.12 -11.14 -9.12 24.60% CHEMBL3099721 Inactive 98.44%
NPY5R_HUMAN neuropeptide Y receptor Y5 -9.14 -9.44 -8.92 30.11% CHEMBL570633 Inactive 66.15%
OPRD_HUMAN opioid receptor delta 1 -9.32 -9.03 -9.42 66.20% CHEMBL3330670 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -12.37 -9.61 -8.69 86.32% CHEMBL2381586 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -10.17 -9.06 -8.64 80.34% CHEMBL498116 Active 98.47%
OPRX_HUMAN opioid related nociceptin receptor 1 -8.97 -8.95 -9.43 39.80% CHEMBL3581762 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -9.20 -8.90 -8.88 46.48% CHEMBL2304167 Active 65.99%
TAAR1_HUMAN trace amine associated receptor 1 -3.71 -9.35 -8.78 26.46% CHEMBL1420390 Inactive 99.99%
TSHR_HUMAN thyroid stimulating hormone receptor -12.77 -12.63 -12.04 20.21% CHEMBL3945037 Active 53.80%
V1AR_HUMAN arginine vasopressin receptor 1A -8.78 -9.45 -9.13 25.10% CHEMBL389581 Inactive 79.26%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -10.83 -10.53 -10.59 18.22% CHEMBL3884667 N/A N/A