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Ligand

NameCHEMBL228846
Molecular formulaC19H21ClN4O3
IUPAC name(2R)-2-[[4-(3-chlorophenyl)benzoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight388.852
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50411335
Inchi KeyKSUDJVTZGHCAMM-MRXNPFEDSA-N
Inchi IDInChI=1S/C19H21ClN4O3/c20-15-4-1-3-14(11-15)12-6-8-13(9-7-12)17(25)24-16(18(26)27)5-2-10-23-19(21)22/h1,3-4,6-9,11,16H,2,5,10H2,(H,24,25)(H,26,27)(H4,21,22,23)/t16-/m1/s1
PubChem CID44426471
ChEMBLCHEMBL228846
IUPHARN/A
BindingDB50411335
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
177389C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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