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Ligand

NameCHEMBL3716995
Molecular formulaC33H31N9O3
IUPAC name1-[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(1H-indazol-6-yl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide
Molecular weight601.671
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP3.3
SynonymsSCHEMBL14020541
Inchi KeyIHCGUCMLVARRJW-GDLZYMKVSA-N
Inchi IDInChI=1S/C33H31N9O3/c34-30(43)29(10-5-15-37-33(35)36)42-28-14-12-21(32(44)39-23-13-11-22-19-38-41-26(22)18-23)17-27(28)40-31(42)20-6-4-9-25(16-20)45-24-7-2-1-3-8-24/h1-4,6-9,11-14,16-19,29H,5,10,15H2,(H2,34,43)(H,38,41)(H,39,44)(H4,35,36,37)/t29-/m1/s1
PubChem CID89224506
ChEMBLCHEMBL3716995
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
525366Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
525367Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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