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Ligand

NameBDBM50066531
Molecular formulaC32H33ClN2O6
IUPAC namemethyl 2-[[(4aS,7aR,12bR)-4a-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-(cyclopropylmethyl)-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]acetate
Molecular weight577.074
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
Synonymsmethyl 2-[17-[2-(4-chlorophenyl)-(E)-1-ethenylcarboxamido]-4-cyclopropylmethyl-14-oxo-(17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-10-yloxy]acetate
Inchi KeyDIFNRVFIVBFMQU-QGYGKFGXSA-N
Inchi IDInChI=1S/C32H33ClN2O6/c1-39-27(38)18-40-24-10-7-21-16-25-32(34-26(37)11-6-19-4-8-22(33)9-5-19)13-12-23(36)30-31(32,28(21)29(24)41-30)14-15-35(25)17-20-2-3-20/h4-11,20,25,30H,2-3,12-18H2,1H3,(H,34,37)/b11-6+/t25?,30-,31-,32+/m0/s1
PubChem CID44344323
ChEMBLN/A
IUPHARN/A
BindingDB50066531
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
60708Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
60706Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
60707Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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