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Ligand

NameCHEMBL317035
Molecular formulaC29H27N3O6
IUPAC name(E)-N-[(4aS,7aR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)prop-2-enamide
Molecular weight513.55
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.5
Synonyms1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide
BDBM50033653
Inchi KeyZJKCEVULTASPKD-XKOFYKQRSA-N
Inchi IDInChI=1S/C29H27N3O6/c33-21-9-6-19-15-23-29(30-24(35)10-5-17-3-7-20(8-4-17)32(36)37)12-11-22(34)27-28(29,25(19)26(21)38-27)13-14-31(23)16-18-1-2-18/h3-12,18,23,27,33H,1-2,13-16H2,(H,30,35)/b10-5+/t23?,27-,28?,29+/m0/s1
PubChem CID44337276
ChEMBLCHEMBL317035
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
429955Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
429956Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
429957Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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