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Ligand

NameCHEMBL3342683
Molecular formulaC29H29N5O4
IUPAC name(2S)-2-[(2-benzhydryl-4-phenyl-1,3-oxazole-5-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight511.582
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.8
SynonymsBDBM50028777
SCHEMBL16154206
Inchi KeyDAFWJIQCPWKKEK-QFIPXVFZSA-N
Inchi IDInChI=1S/C29H29N5O4/c30-29(31)32-18-10-17-22(28(36)37)33-26(35)25-24(21-15-8-3-9-16-21)34-27(38-25)23(19-11-4-1-5-12-19)20-13-6-2-7-14-20/h1-9,11-16,22-23H,10,17-18H2,(H,33,35)(H,36,37)(H4,30,31,32)/t22-/m0/s1
PubChem CID101886252
ChEMBLCHEMBL3342683
IUPHARN/A
BindingDB50028777
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
443887C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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