virus CKB #284 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 -3.75 -3.78 -4.17 7.69% CHEMBL158973 Inactive 99.99%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -3.90 -3.94 -4.34 4.88% CHEMBL342704 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -4.44 -3.80 -4.18 4.41% CHEMBL276868 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -3.68 -3.87 -3.60 3.91% CHEMBL432713 Inactive 99.99%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -3.94 -3.90 -3.87 4.26% CHEMBL103424 Inactive 99.99%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -3.63 -4.04 N/A 7.69% CHEMBL158973 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -3.92 -4.00 -4.00 7.32% CHEMBL452719 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -3.83 -4.34 N/A 7.32% CHEMBL452719 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -3.84 -4.20 -3.71 3.54% CHEMBL2401750 Inactive 99.99%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -3.96 -3.46 -3.74 4.41% CHEMBL189262 Inactive 99.99%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -3.94 -3.84 -4.05 5.71% CHEMBL98511 Inactive 99.99%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -3.95 -4.05 -3.93 7.69% CHEMBL158973 Inactive 99.99%
AA1R_HUMAN adenosine A1 receptor -3.69 -3.95 -3.68 5.26% CHEMBL198054 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -3.51 -3.89 -4.19 4.55% CHEMBL3314905 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -3.87 -4.26 -3.78 3.73% CHEMBL51353 Inactive 99.99%
AA3R_HUMAN adenosine A3 receptor -4.57 -2.27 -4.18 7.14% CHEMBL39664 Inactive 99.99%
ACM1_HUMAN cholinergic receptor muscarinic 1 -4.76 -1.75 N/A 6.45% CHEMBL75880 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -4.19 -4.22 -4.53 6.25% CHEMBL2030626 Inactive 99.99%
ACM3_HUMAN cholinergic receptor muscarinic 3 -3.98 -4.42 -3.85 6.45% CHEMBL75880 Inactive 99.99%
ACM4_HUMAN cholinergic receptor muscarinic 4 -4.46 -3.60 N/A 6.45% CHEMBL75880 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -4.79 -4.67 -4.05 6.45% CHEMBL75880 Inactive 99.99%
ACTHR_HUMAN melanocortin 2 receptor -4.02 -4.32 -4.03 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -3.93 -4.13 -4.25 4.92% CHEMBL3343976 Inactive 99.99%
ADA2A_HUMAN adrenoceptor alpha 2A -4.67 -4.60 -3.88 5.41% CHEMBL334255 Inactive 99.99%
ADA2B_HUMAN adrenoceptor alpha 2B -4.61 -4.35 -4.53 5.41% CHEMBL334255 Active 61.11%
ADA2C_HUMAN adrenoceptor alpha 2C -4.27 -4.62 -4.00 6.45% CHEMBL2030634 Inactive 99.99%
ADRB1_HUMAN adrenoceptor beta 1 -4.47 -4.43 -4.33 4.35% CHEMBL507003 Inactive 80.14%
ADRB2_HUMAN adrenoceptor beta 2 -4.05 -4.16 -4.12 4.49% CHEMBL1940828 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -4.13 -4.03 -3.75 4.47% CHEMBL417387 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -3.73 -3.76 -3.87 3.90% CHEMBL2435831 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -4.08 -4.27 -4.11 11.48% CHEMBL121565 Inactive 99.99%
CALCR_HUMAN calcitonin receptor -3.84 -3.78 -3.76 2.03% CHEMBL2369895 Inactive 99.99%
CCKAR_HUMAN cholecystokinin A receptor -3.73 -4.27 -4.25 3.55% CHEMBL1784685 Inactive 99.99%
CCR1_HUMAN C-C motif chemokine receptor 1 -3.48 -3.42 -3.92 4.35% CHEMBL339349 Inactive 99.99%
CCR2_HUMAN C-C motif chemokine receptor 2 -3.51 -3.76 -3.69 5.83% CHEMBL248812 Inactive 99.99%
CCR4_HUMAN C-C motif chemokine receptor 4 -4.03 -3.77 -3.50 4.60% CHEMBL206878 Inactive 99.99%
CCR5_HUMAN C-C motif chemokine receptor 5 -3.40 -3.65 -3.49 9.00% CHEMBL62454 Inactive 99.99%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -4.41 -4.18 -4.29 3.19% CHEMBL22776 Inactive 99.99%
CNR1_HUMAN cannabinoid receptor 1 -4.10 -3.98 -4.38 5.63% CHEMBL2179762 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -4.48 -4.39 N/A 6.90% CHEMBL3360190 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -4.98 N/A N/A 3.03% CHEMBL191413 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -3.20 -3.24 -3.34 3.55% CHEMBL1784685 Inactive 99.99%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -4.37 -4.19 -3.88 4.35% CHEMBL2181446 Inactive 99.99%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -3.88 -2.96 -3.51 3.85% CHEMBL18442 N/A N/A
DRD1_HUMAN dopamine receptor D1 -3.75 -4.13 -4.19 5.26% CHEMBL908 Inactive 99.99%
DRD2_HUMAN dopamine receptor D2 -4.21 N/A N/A 7.69% CHEMBL158973 N/A N/A
DRD3_HUMAN dopamine receptor D3 -3.90 N/A N/A 6.25% CHEMBL1006 N/A N/A
DRD4_HUMAN dopamine receptor D4 -3.56 -3.59 N/A 5.13% CHEMBL1202208 N/A N/A
DRD5_HUMAN dopamine receptor D5 -4.06 -4.34 -3.40 5.26% CHEMBL908 Inactive 99.99%
EDNRA_HUMAN endothelin receptor type A -3.50 -3.56 -3.41 3.57% CHEMBL3753406 Inactive 99.99%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -1.86 -2.15 -2.28 6.73% CHEMBL2391908 Inactive 99.99%
GASR_HUMAN cholecystokinin B receptor -3.54 -3.86 -4.02 3.45% CHEMBL38874 Inactive 99.99%
GRM1_HUMAN glutamate metabotropic receptor 1 -4.66 -4.29 -4.40 4.65% CHEMBL38499 Inactive 97.79%
GRM2_HUMAN glutamate metabotropic receptor 2 -4.60 -3.90 -4.16 5.00% CHEMBL280563 Inactive 99.99%
GRM3_HUMAN glutamate metabotropic receptor 3 -3.99 -4.22 -4.78 5.88% CHEMBL575060 Inactive 99.99%
GRM4_HUMAN glutamate metabotropic receptor 4 -1.00 -0.30 -0.34 10.64% CHEMBL33567 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -4.83 -3.35 -3.44 7.35% CHEMBL195965 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -4.77 -4.83 -4.92 10.64% CHEMBL33567 Inactive 95.17%
GRM7_HUMAN glutamate metabotropic receptor 7 -4.35 -2.83 -3.85 3.55% CHEMBL3561819 Inactive 99.99%
GRM8_HUMAN glutamate metabotropic receptor 8 -1.83 -1.12 -1.22 10.64% CHEMBL285843 Inactive 99.99%
HRH1_HUMAN histamine receptor H1 -3.41 N/A N/A 6.98% CHEMBL593494 N/A N/A
HRH2_HUMAN histamine receptor H2 -4.22 -4.14 -3.97 4.11% CHEMBL3104093 Inactive 99.99%
HRH3_HUMAN histamine receptor H3 -4.02 -4.03 -3.99 8.00% CHEMBL1190 Inactive 99.99%
HRH4_HUMAN histamine receptor H4 -4.16 -4.17 -4.17 5.56% CHEMBL12344 Inactive 99.99%
MC3R_HUMAN melanocortin 3 receptor -3.65 -3.45 -3.08 3.92% CHEMBL1761873 Inactive 99.99%
MC4R_HUMAN melanocortin 4 receptor -3.46 -3.09 -3.12 5.45% CHEMBL371896 Inactive 99.99%
MC5R_HUMAN melanocortin 5 receptor -2.99 -3.54 -2.17 3.92% CHEMBL1761870 Inactive 99.99%
MSHR_HUMAN melanocortin 1 receptor -3.36 -3.52 -3.60 3.92% CHEMBL1761872 Inactive 99.99%
NK1R_HUMAN tachykinin receptor 1 -4.15 -3.82 -3.63 4.69% CHEMBL143813 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -3.73 -3.89 -3.84 3.81% CHEMBL9960 Inactive 99.99%
NPBW1_HUMAN neuropeptides B and W receptor 1 -3.74 -3.44 -3.69 3.55% CHEMBL1997066 Inactive 99.99%
NPFF1_HUMAN neuropeptide FF receptor 1 -3.78 -3.70 -3.79 4.12% CHEMBL3361436 Inactive 99.99%
NPSR1_HUMAN neuropeptide S receptor 1 -4.22 -4.64 -3.98 3.57% CHEMBL1315807 Inactive 99.99%
NPY1R_HUMAN neuropeptide Y receptor Y1 -4.39 -3.87 -3.86 3.45% CHEMBL564810 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -3.67 -3.65 -3.60 3.39% CHEMBL3559801 Inactive 99.99%
NPY4R_HUMAN neuropeptide Y receptor Y4 -4.15 -4.24 -3.90 3.39% CHEMBL3559801 Inactive 99.99%
NPY5R_HUMAN neuropeptide Y receptor Y5 -3.52 -3.59 -3.77 5.56% CHEMBL331019 Inactive 99.99%
OPRD_HUMAN opioid receptor delta 1 -3.61 -3.40 -3.50 5.21% CHEMBL106880 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -3.86 -4.45 -4.34 6.06% CHEMBL2432039 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -4.31 -3.33 -3.23 10.00% CHEMBL123693 Inactive 99.99%
OPRX_HUMAN opioid related nociceptin receptor 1 -3.80 -4.20 -3.94 4.92% CHEMBL230033 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -3.41 -3.26 -3.37 4.10% CHEMBL300644 Inactive 99.99%
TAAR1_HUMAN trace amine associated receptor 1 -4.22 -4.37 -3.97 7.69% CHEMBL1255743 Inactive 99.99%
TSHR_HUMAN thyroid stimulating hormone receptor -4.42 -4.16 -4.31 3.81% CHEMBL3891546 Inactive 99.99%
V1AR_HUMAN arginine vasopressin receptor 1A -4.11 -3.46 -4.18 4.35% CHEMBL196737 Inactive 99.99%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -3.70 -4.05 -4.12 3.55% CHEMBL1784685 N/A N/A