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Ligand

NameBDBM50066532
Molecular formulaC32H31ClN2O4
IUPAC name(E)-N-[(4aS,7aR,12bR)-3-(cyclopropylmethyl)-7-oxo-9-prop-2-ynoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-chlorophenyl)prop-2-enamide
Molecular weight543.06
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.1
Synonyms1N-[4-cyclopropylmethyl-14-oxo-10-(2-propynyloxy)-(17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-yl]-3-(4-chlorophenyl)-(E)-2-propenamide
Inchi KeyBGPVJFXENKTUOS-OCIYETIPSA-N
Inchi IDInChI=1S/C32H31ClN2O4/c1-2-17-38-25-11-8-22-18-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)19-21-3-4-21/h1,5-12,21,26,30H,3-4,13-19H2,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
PubChem CID44344177
ChEMBLN/A
IUPHARN/A
BindingDB50066532
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23291Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
23292Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
23290Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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