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Ligand

NameCHEMBL2334768
Molecular formulaC35H38N6O5
IUPAC name(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(1S)-2-carbamoyl-1-phenylprop-2-enyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
Molecular weight622.726
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP2.3
SynonymsBDBM50430805
Inchi KeyAGAQXKAFDAOXKW-GLWIQRGKSA-N
Inchi IDInChI=1S/C35H38N6O5/c1-21(32(37)43)31(23-7-3-2-4-8-23)40-34(45)30(18-25-19-38-29-10-6-5-9-27(25)29)39-33(44)24-15-16-41(20-24)35(46)28(36)17-22-11-13-26(42)14-12-22/h2-14,19,24,28,30-31,38,42H,1,15-18,20,36H2,(H2,37,43)(H,39,44)(H,40,45)/t24-,28-,30-,31+/m0/s1
PubChem CID71605420
ChEMBLCHEMBL2334768
IUPHARN/A
BindingDB50430805
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4706Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
4703Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
4704Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
4705Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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