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Ligand

NameBDBM50044863
Molecular formulaC38H43N3O5
IUPAC namebenzyl (1S,2S,7R,12R,17R)-26-(cyclopropylmethyl)-2,20-dihydroxy-15-methyl-18-oxa-9,15,26-triazaoctacyclo[17.9.1.01,17.02,25.04,16.05,14.07,12.023,29]nonacosa-4(16),5(14),19,21,23(29)-pentaene-9-carboxylate
Molecular weight621.778
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.3
Synonyms17-(Cyclopropylmethyl)-6,7-didehydro-3,14-dihydroxy-4,5beta-epoxy-6,7:2'',3''-[[N-(benzyloxycarbonyl)piperidino][3,4-f](N-methyl-4'',5''(R),6''(R),7''-tetrahydroindolo)]morphinan
Inchi KeyBCPUGGCDIQTIQA-SEVBBMNCSA-N
Inchi IDInChI=1S/C38H43N3O5/c1-39-29-16-24-11-13-41(36(43)45-21-23-5-3-2-4-6-23)20-26(24)15-27(29)28-18-38(44)31-17-25-9-10-30(42)34-32(25)37(38,35(46-34)33(28)39)12-14-40(31)19-22-7-8-22/h2-6,9-10,22,24,26,31,35,42,44H,7-8,11-21H2,1H3/t24-,26+,31?,35+,37+,38-/m1/s1
PubChem CID44317553
ChEMBLN/A
IUPHARN/A
BindingDB50044863
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
20395Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
20396Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
20397Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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