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Ligand

NameCHEMBL451962
Molecular formulaC34H39N5O4
IUPAC name(2S)-N-[(4R)-2-[2-(benzylamino)-2-oxoethyl]-3-oxo-1,4,5,10-tetrahydroazepino[3,4-b]indol-4-yl]-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
Molecular weight581.717
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP4.1
SynonymsBDBM50266061
(S)-N-((R)-2-(2-(benzylamino)-2-oxoethyl)-3-oxo-1,2,3,4,5,10-hexahydroazepino[3,4-b]indol-4-yl)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
Inchi KeyAEPMYORXXJWXPR-VEEOACQBSA-N
Inchi IDInChI=1S/C34H39N5O4/c1-21-14-24(40)15-22(2)26(21)17-31(38(3)4)33(42)37-29-16-27-25-12-8-9-13-28(25)36-30(27)19-39(34(29)43)20-32(41)35-18-23-10-6-5-7-11-23/h5-15,29,31,36,40H,16-20H2,1-4H3,(H,35,41)(H,37,42)/t29-,31+/m1/s1
PubChem CID44581438
ChEMBLCHEMBL451962
IUPHARN/A
BindingDB50266061
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3720Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
3719Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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