CN(C)C(=N)/N=C(N)/N #580 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 -4.85 -4.76 -4.57 17.24% CHEMBL582877 Inactive 94.01%
5HT1B_HUMAN 5-hydroxytryptamine receptor 1B -5.30 -5.46 -5.08 10.98% CHEMBL366322 N/A N/A
5HT1D_HUMAN 5-hydroxytryptamine receptor 1D -5.30 -5.20 -5.19 13.04% CHEMBL182837 N/A N/A
5HT1E_HUMAN 5-hydroxytryptamine receptor 1E -5.17 -5.12 -4.64 2.83% CHEMBL4163428 Active 53.04%
5HT1F_HUMAN 5-hydroxytryptamine receptor 1F -5.36 -4.93 -4.80 4.62% CHEMBL323264 Inactive 86.06%
5HT2A_HUMAN 5-hydroxytryptamine receptor 2A -4.61 -4.87 N/A 17.24% CHEMBL582877 N/A N/A
5HT2B_HUMAN 5-hydroxytryptamine receptor 2B -4.71 -4.83 -5.16 17.24% CHEMBL582877 N/A N/A
5HT2C_HUMAN 5-hydroxytryptamine receptor 2C -4.63 -4.94 N/A 17.24% CHEMBL582877 N/A N/A
5HT4R_HUMAN 5-hydroxytryptamine receptor 4 -5.50 -5.83 -6.10 6.92% CHEMBL2058702 Inactive 88.14%
5HT5A_HUMAN 5-hydroxytryptamine receptor 5A -4.77 -4.58 -4.95 17.24% CHEMBL582877 Inactive 63.38%
5HT6R_HUMAN 5-hydroxytryptamine receptor 6 -5.07 -4.88 -5.23 17.24% CHEMBL582877 Inactive 93.20%
5HT7R_HUMAN 5-hydroxytryptamine receptor 7 -4.98 -4.96 -4.72 13.64% CHEMBL3770342 Inactive 73.71%
AA1R_HUMAN adenosine A1 receptor -4.56 -4.75 -4.78 5.94% CHEMBL1094353 N/A N/A
AA2AR_HUMAN adenosine A2a receptor -4.45 -5.05 -5.13 10.89% CHEMBL1099100 N/A N/A
AA2BR_HUMAN adenosine A2b receptor -5.04 -5.53 -4.93 9.76% CHEMBL1210817 Inactive 84.29%
AA3R_HUMAN adenosine A3 receptor -4.54 -4.67 -5.30 6.42% CHEMBL70553 Inactive 63.31%
ACM1_HUMAN cholinergic receptor muscarinic 1 -5.05 -4.85 N/A 15.22% CHEMBL477542 N/A N/A
ACM2_HUMAN cholinergic receptor muscarinic 2 -5.27 -4.80 -5.71 15.22% CHEMBL477542 Active 56.92%
ACM3_HUMAN cholinergic receptor muscarinic 3 -5.00 -5.50 -5.06 11.76% CHEMBL667 Inactive 89.71%
ACM4_HUMAN cholinergic receptor muscarinic 4 -4.86 -4.75 N/A 15.22% CHEMBL477542 N/A N/A
ACM5_HUMAN cholinergic receptor muscarinic 5 -5.49 -4.72 -5.37 11.76% CHEMBL667 Inactive 88.76%
ACTHR_HUMAN melanocortin 2 receptor -4.48 -4.46 -5.36 N/A N/A N/A N/A
ADA1D_HUMAN adrenoceptor alpha 1D -4.49 -4.72 -4.68 12.00% CHEMBL134 Inactive 73.94%
ADA2A_HUMAN adrenoceptor alpha 2A -5.06 -5.05 -5.02 16.28% CHEMBL3289522 Inactive 76.23%
ADA2B_HUMAN adrenoceptor alpha 2B -5.46 -5.12 -5.18 12.50% CHEMBL289480 Active 56.86%
ADA2C_HUMAN adrenoceptor alpha 2C -5.03 -5.05 -4.81 13.64% CHEMBL647 Inactive 58.66%
ADRB1_HUMAN adrenoceptor beta 1 -4.91 -4.84 -4.63 8.57% CHEMBL1204005 Inactive 80.83%
ADRB2_HUMAN adrenoceptor beta 2 -5.98 -4.99 -4.98 7.56% CHEMBL439794 N/A N/A
ADRB3_HUMAN adrenoceptor beta 3 -4.83 -5.34 -4.97 7.56% CHEMBL127422 N/A N/A
AGTR2_HUMAN angiotensin II receptor type 2 -4.53 -4.54 -4.23 7.63% CHEMBL3350599 N/A N/A
BKRB2_HUMAN bradykinin receptor B2 -5.27 -5.44 -5.03 7.89% CHEMBL1160968 Inactive 95.93%
CALCR_HUMAN calcitonin receptor -4.55 -4.70 -4.79 8.51% CHEMBL4462020 Active 89.56%
CCKAR_HUMAN cholecystokinin A receptor -4.28 -4.31 -4.73 7.30% CHEMBL9387 Inactive 91.49%
CCR1_HUMAN C-C motif chemokine receptor 1 -4.99 -5.16 -4.63 4.88% CHEMBL357919 Inactive 98.44%
CCR2_HUMAN C-C motif chemokine receptor 2 -4.50 -4.72 -4.22 5.85% CHEMBL1210728 Inactive 99.99%
CCR4_HUMAN C-C motif chemokine receptor 4 -5.16 -5.11 -4.91 3.85% CHEMBL459465 Inactive 85.77%
CCR5_HUMAN C-C motif chemokine receptor 5 -4.34 -4.32 -4.42 7.56% CHEMBL492960 Inactive 99.91%
CLTR1_HUMAN cysteinyl leukotriene receptor 1 -5.14 -4.77 -5.13 3.80% CHEMBL3403185 Inactive 98.27%
CNR1_HUMAN cannabinoid receptor 1 -4.72 -5.64 -5.59 8.74% CHEMBL515604 N/A N/A
CNR2_HUMAN cannabinoid receptor 2 -4.82 -5.48 N/A 8.74% CHEMBL515604 N/A N/A
CXCR1_HUMAN C-X-C motif chemokine receptor 1 -5.66 N/A N/A 7.26% CHEMBL376540 N/A N/A
CXCR2_HUMAN C-X-C motif chemokine receptor 2 -5.16 -4.85 -4.75 7.26% CHEMBL376540 Inactive 81.19%
CXCR3_HUMAN C-X-C motif chemokine receptor 3 -5.37 -5.03 -4.89 5.52% CHEMBL4114158 Inactive 99.44%
CXCR4_HUMAN C-X-C motif chemokine receptor 4 -4.98 -5.16 -4.16 10.29% CHEMBL2347631 N/A N/A
DRD1_HUMAN dopamine receptor D1 -5.06 -4.90 -5.31 6.62% CHEMBL716 Inactive 80.94%
DRD2_HUMAN dopamine receptor D2 -4.65 N/A N/A 9.72% CHEMBL132575 N/A N/A
DRD3_HUMAN dopamine receptor D3 -4.61 N/A N/A 8.43% CHEMBL64894 N/A N/A
DRD4_HUMAN dopamine receptor D4 -4.96 -4.96 N/A 8.00% CHEMBL4079495 N/A N/A
DRD5_HUMAN dopamine receptor D5 -5.40 -5.35 -5.05 5.34% CHEMBL42 Inactive 86.09%
EDNRA_HUMAN endothelin receptor type A -5.35 -5.06 -5.10 5.13% CHEMBL405599 Inactive 96.65%
GABR1_HUMAN gamma-aminobutyric acid type B receptor subunit 1 -5.49 -5.08 -4.99 2.78% CHEMBL392394 Inactive 85.79%
GASR_HUMAN cholecystokinin B receptor -4.90 -4.83 -4.94 8.12% CHEMBL102537 Inactive 96.92%
GRM1_HUMAN glutamate metabotropic receptor 1 -5.11 -5.29 -5.30 9.00% CHEMBL239800 Inactive 97.55%
GRM2_HUMAN glutamate metabotropic receptor 2 -5.01 -5.05 -5.07 5.56% CHEMBL468800 Inactive 86.83%
GRM3_HUMAN glutamate metabotropic receptor 3 -5.44 -5.47 -5.25 5.13% CHEMBL575060 Active 55.96%
GRM4_HUMAN glutamate metabotropic receptor 4 -4.39 -4.42 -4.20 4.14% CHEMBL2023626 Inactive 99.99%
GRM5_HUMAN glutamate metabotropic receptor 5 -5.61 -5.78 -5.69 14.13% CHEMBL380626 N/A N/A
GRM6_HUMAN glutamate metabotropic receptor 6 -4.66 -5.19 -4.96 5.26% CHEMBL2418359 Inactive 94.71%
GRM7_HUMAN glutamate metabotropic receptor 7 -5.09 -4.89 -4.91 3.70% CHEMBL1387826 Inactive 99.97%
GRM8_HUMAN glutamate metabotropic receptor 8 -4.95 -4.85 -4.70 5.33% CHEMBL277475 Inactive 96.44%
HRH1_HUMAN histamine receptor H1 -5.17 N/A N/A 9.00% CHEMBL273170 N/A N/A
HRH2_HUMAN histamine receptor H2 -6.18 -4.86 -6.12 11.34% CHEMBL1078359 Active 84.00%
HRH3_HUMAN histamine receptor H3 -5.19 -4.60 -4.63 17.07% CHEMBL1196470 Active 69.53%
HRH4_HUMAN histamine receptor H4 -5.10 -5.18 -5.15 25.00% CHEMBL539343 Inactive 55.51%
MC3R_HUMAN melanocortin 3 receptor -4.81 -4.80 -4.26 7.37% CHEMBL211975 Inactive 71.20%
MC4R_HUMAN melanocortin 4 receptor -4.20 -3.98 -3.80 8.75% CHEMBL1330113 Inactive 99.99%
MC5R_HUMAN melanocortin 5 receptor -4.77 -4.53 -5.13 7.69% CHEMBL184612 Inactive 66.61%
MSHR_HUMAN melanocortin 1 receptor -4.98 -4.34 -5.21 9.21% CHEMBL267020 Inactive 82.94%
NK1R_HUMAN tachykinin receptor 1 -4.84 -4.78 -4.42 5.98% CHEMBL303222 N/A N/A
NK2R_HUMAN tachykinin receptor 2 -4.51 -4.25 -4.43 8.43% CHEMBL64894 Inactive 99.99%
NPBW1_HUMAN neuropeptides B and W receptor 1 -4.96 -4.72 -4.94 2.94% CHEMBL1940542 Inactive 88.26%
NPFF1_HUMAN neuropeptide FF receptor 1 -4.27 -4.77 -4.28 8.59% CHEMBL3746851 Inactive 54.96%
NPSR1_HUMAN neuropeptide S receptor 1 -4.67 -5.49 -4.92 6.67% CHEMBL3085788 Inactive 87.28%
NPY1R_HUMAN neuropeptide Y receptor Y1 -5.63 -5.67 -5.01 11.29% CHEMBL2440935 N/A N/A
NPY2R_HUMAN neuropeptide Y receptor Y2 -4.87 -4.71 -4.92 10.92% CHEMBL3787712 Inactive 87.81%
NPY4R_HUMAN neuropeptide Y receptor Y4 -5.10 -4.85 -5.15 11.57% CHEMBL3787528 Active 90.34%
NPY5R_HUMAN neuropeptide Y receptor Y5 -4.91 -5.23 -4.71 10.92% CHEMBL3787713 Inactive 91.73%
OPRD_HUMAN opioid receptor delta 1 -4.22 -3.69 -4.03 11.11% CHEMBL1587149 N/A N/A
OPRK_HUMAN opioid receptor kappa 1 -4.73 -4.98 -4.82 12.33% CHEMBL435414 N/A N/A
OPRM_HUMAN opioid receptor mu 1 -4.56 -4.48 -4.86 9.86% CHEMBL147949 Inactive 90.15%
OPRX_HUMAN opioid related nociceptin receptor 1 -4.37 -4.57 -4.66 7.34% CHEMBL3144468 N/A N/A
PTAFR_HUMAN platelet activating factor receptor -4.54 -4.27 -4.82 5.68% CHEMBL1235246 Inactive 94.08%
TAAR1_HUMAN trace amine associated receptor 1 -4.90 -5.01 -4.94 18.92% CHEMBL1320254 Active 88.28%
TSHR_HUMAN thyroid stimulating hormone receptor -4.54 -5.04 -4.57 3.91% CHEMBL3964880 Inactive 90.98%
V1AR_HUMAN arginine vasopressin receptor 1A -4.48 -4.79 -5.81 6.03% CHEMBL269012 Inactive 97.56%
VIPR1_HUMAN vasoactive intestinal peptide receptor 1 -4.87 -4.84 -5.07 4.73% CHEMBL3884667 N/A N/A