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Ligand

NameCHEMBL438833
Molecular formulaC29H39N5O5
IUPAC name(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
Molecular weight537.661
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP1.0
SynonymsBDBM50209316
(S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-1-oxohexan-2-yl)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboxamide
Inchi KeyAZGOQVZXEGKFSN-QORCZRPOSA-N
Inchi IDInChI=1S/C29H39N5O5/c1-2-3-10-23(27(37)33-24(26(31)36)18-19-8-5-4-6-9-19)32-28(38)25-11-7-16-34(25)29(39)22(30)17-20-12-14-21(35)15-13-20/h4-6,8-9,12-15,22-25,35H,2-3,7,10-11,16-18,30H2,1H3,(H2,31,36)(H,32,38)(H,33,37)/t22-,23-,24-,25-/m0/s1
PubChem CID44428868
ChEMBLCHEMBL438833
IUPHARN/A
BindingDB50209316
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18119Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
18120Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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