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Ligand

NameCHEMBL126243
Molecular formulaC32H37N5O5
IUPAC name1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight571.678
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP2.3
Synonyms1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide (Endomorphin-2)
BDBM50106276
Inchi KeyXIJHWXXXIMEHKW-JRVZRWKPSA-N
Inchi IDInChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26+,27+,28?/m0/s1
PubChem CID44350751
ChEMBLN/A
IUPHARN/A
BindingDB50106276
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
392626Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
392627Kappa-type opioid receptorQ2KIP6OPRK1Bos taurus (Bovine)380
392624Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
392625Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401
392628Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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