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Ligand

NameCHEMBL228901
Molecular formulaC26H28N4O3
IUPAC name(2R)-2-[(4-benzhydrylbenzoyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight444.535
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.4
SynonymsBDBM50422992
Inchi KeyOUXMSYHZKGJHMD-JOCHJYFZSA-N
Inchi IDInChI=1S/C26H28N4O3/c27-26(28)29-17-7-12-22(25(32)33)30-24(31)21-15-13-20(14-16-21)23(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-16,22-23H,7,12,17H2,(H,30,31)(H,32,33)(H4,27,28,29)/t22-/m1/s1
PubChem CID44426481
ChEMBLCHEMBL228901
IUPHARN/A
BindingDB50422992
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
250944C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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