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Ligand

NameCHEMBL3716921
Molecular formulaC33H33N7O4
IUPAC name1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-(4-methoxyphenyl)-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide
Molecular weight591.672
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP3.7
SynonymsN/A
Inchi KeyVYMPYDJQKTVXPX-LJAQVGFWSA-N
Inchi IDInChI=1S/C33H33N7O4/c1-43-24-15-13-23(14-16-24)38-32(42)22-12-17-28-27(20-22)39-31(40(28)29(30(34)41)11-6-18-37-33(35)36)21-7-5-10-26(19-21)44-25-8-3-2-4-9-25/h2-5,7-10,12-17,19-20,29H,6,11,18H2,1H3,(H2,34,41)(H,38,42)(H4,35,36,37)/t29-/m0/s1
PubChem CID25026047
ChEMBLCHEMBL3716921
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
531854Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
531855Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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