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Ligand

NameCHEMBL3342690
Molecular formulaC25H30N6O3
IUPAC name(2S)-2-[(2-benzhydryl-1,5-dimethylimidazole-4-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight462.554
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP2.2
SynonymsBDBM50028697
SCHEMBL16154217
Inchi KeyPEHKXYVHFLFHLR-IBGZPJMESA-N
Inchi IDInChI=1S/C25H30N6O3/c1-16-21(23(32)29-19(24(33)34)14-9-15-28-25(26)27)30-22(31(16)2)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,9,14-15H2,1-2H3,(H,29,32)(H,33,34)(H4,26,27,28)/t19-/m0/s1
PubChem CID101886250
ChEMBLCHEMBL3342690
IUPHARN/A
BindingDB50028697
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
451838C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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