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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL556957
Molecular formulaC23H36Cl2N2O2
IUPAC nameN-[(1R,2R)-2-(azepan-1-yl)cyclohexyl]-2-(4-chloro-3,5-dimethylphenoxy)-N-methylacetamide;hydrochloride
Molecular weight443.453
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyAYKCWMVKKXYULN-MUCZFFFMSA-N
Inchi IDInChI=1S/C23H35ClN2O2.ClH/c1-17-14-19(15-18(2)23(17)24)28-16-22(27)25(3)20-10-6-7-11-21(20)26-12-8-4-5-9-13-26;/h14-15,20-21H,4-13,16H2,1-3H3;1H/t20-,21-;/m1./s1
PubChem CID45262958
ChEMBLCHEMBL556957
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17516Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
17517Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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