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Ligand

NameCHEMBL3715864
Molecular formulaC30H35N7O3
IUPAC name1-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-butyl-2-(3-phenoxyphenyl)benzimidazole-5-carboxamide
Molecular weight541.656
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP3.4
SynonymsN/A
Inchi KeyTZWMNSNPDWLTGZ-SANMLTNESA-N
Inchi IDInChI=1S/C30H35N7O3/c1-2-3-16-34-29(39)21-14-15-25-24(19-21)36-28(37(25)26(27(31)38)13-8-17-35-30(32)33)20-9-7-12-23(18-20)40-22-10-5-4-6-11-22/h4-7,9-12,14-15,18-19,26H,2-3,8,13,16-17H2,1H3,(H2,31,38)(H,34,39)(H4,32,33,35)/t26-/m0/s1
PubChem CID25026048
ChEMBLCHEMBL3715864
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
530810Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
530811Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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