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Ligand

NameCHEMBL3716029
Molecular formulaC38H42N8O3
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[5-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-(3-phenoxyphenyl)benzimidazol-1-yl]pentanamide
Molecular weight658.807
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.7
SynonymsSCHEMBL14020513
Inchi KeyUQVCYLRXNFFGEG-BFZOCEIISA-N
Inchi IDInChI=1S/C38H42N8O3/c1-25-9-6-11-29(21-25)45-20-19-44(24-26(45)2)37(48)28-16-17-33-32(23-28)43-36(46(33)34(35(39)47)15-8-18-42-38(40)41)27-10-7-14-31(22-27)49-30-12-4-3-5-13-30/h3-7,9-14,16-17,21-23,26,34H,8,15,18-20,24H2,1-2H3,(H2,39,47)(H4,40,41,42)/t26?,34-/m0/s1
PubChem CID59819658
ChEMBLCHEMBL3716029
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
531139Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322
531140Mas-related G-protein coupled receptor member X2Q4QXU5MRGPRX2Macaca mulatta (Rhesus macaque)329
531141Mas-related G-protein coupled receptor member X2Q96LB1MRGPRX2Homo sapiens (Human)330

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