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Ligand

NameCHEMBL2372400
Molecular formulaC27H36N4O7S
IUPAC namemethyl 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanoyl]amino]-3-phenylpropanoyl]-methylamino]acetate
Molecular weight560.666
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP0.5
SynonymsBDBM50019836
[(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-methanesulfinyl-butyrylamino}-3-phenyl-propionyl)-methyl-amino]-acetic acid methyl ester
Inchi KeyAKYCNGLBGGKTAX-JBIUMHCQSA-N
Inchi IDInChI=1S/C27H36N4O7S/c1-31(17-24(33)38-2)27(36)23(16-18-7-5-4-6-8-18)30-26(35)22(13-14-39(3)37)29-25(34)21(28)15-19-9-11-20(32)12-10-19/h4-12,21-23,32H,13-17,28H2,1-3H3,(H,29,34)(H,30,35)/t21-,22-,23-,39?/m0/s1
PubChem CID73354764
ChEMBLCHEMBL2372400
IUPHARN/A
BindingDB50019836
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
8015Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
8016Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
8014Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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