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Ligand

NameCHEMBL1078529
Molecular formulaC16H20N6S
IUPAC name1-cyano-2-[3-(1H-imidazol-5-yl)propyl]-3-(2-phenylsulfanylethyl)guanidine
Molecular weight328.438
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP2.2
SynonymsBDBM50415655
Inchi KeyAAOBJKVPHPJNIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H20N6S/c17-12-21-16(19-8-4-5-14-11-18-13-22-14)20-9-10-23-15-6-2-1-3-7-15/h1-3,6-7,11,13H,4-5,8-10H2,(H,18,22)(H2,19,20,21)
PubChem CID44480707
ChEMBLCHEMBL1078529
IUPHARN/A
BindingDB50415655
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
374Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
375Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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