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Ligand

NameCHEMBL228900
Molecular formulaC24H32N6O3
IUPAC name(2R)-2-[(4-benzhydrylpiperazine-1-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight452.559
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP-0.9
SynonymsBDBM50422997
Inchi KeyIVISQVQWPLFQDL-HXUWFJFHSA-N
Inchi IDInChI=1S/C24H32N6O3/c25-23(26)27-13-7-12-20(22(31)32)28-24(33)30-16-14-29(15-17-30)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H,28,33)(H,31,32)(H4,25,26,27)/t20-/m1/s1
PubChem CID44426478
ChEMBLCHEMBL228900
IUPHARN/A
BindingDB50422997
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
142679C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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