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Ligand

NameCHEMBL274204
Molecular formulaC29H39N5O8S
IUPAC name(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]-methylamino]-3-phenylpropanoyl]amino]-4-methylsulfinylbutanoic acid
Molecular weight617.718
Hydrogen bond acceptor10
Hydrogen bond donor6
XlogP-2.3
Synonyms2-[1-[1-[1-amino-2-(4-hydroxyphenyl)-(1S)-ethylcarboxamido]-(1S)-ethylcarboxamidomethyl(methyl)carboxamido]-2-phenyl-(1S)-ethylcarboxamido]-4-methylsulfinyl-(2S)-butanoic acid
BDBM50027408
Inchi KeyBDERJSTZOMHTMH-JVYPIJEBSA-N
Inchi IDInChI=1S/C29H39N5O8S/c1-18(32-27(38)22(30)15-20-9-11-21(35)12-10-20)26(37)31-17-25(36)34(2)24(16-19-7-5-4-6-8-19)28(39)33-23(29(40)41)13-14-43(3)42/h4-12,18,22-24,35H,13-17,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)(H,40,41)/t18-,22-,23-,24-,43?/m0/s1
PubChem CID44269159
ChEMBLCHEMBL274204
IUPHARN/A
BindingDB50027408
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20852Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
20853Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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