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Ligand

NameCHEMBL3736325
Molecular formulaC29H36N6O6
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[5-methyl-2-[(1S)-3-methyl-1-[(4-phenoxybenzoyl)amino]butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight564.643
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP3.2
SynonymsSCHEMBL14952354
Inchi KeyMRWHTAYZLVTJFG-GOTSBHOMSA-N
Inchi IDInChI=1S/C29H36N6O6/c1-17(2)16-23(34-25(36)19-11-13-21(14-12-19)41-20-8-5-4-6-9-20)27-35-24(18(3)40-27)26(37)33-22(28(38)39)10-7-15-32-29(30)31/h4-6,8-9,11-14,17,22-23H,7,10,15-16H2,1-3H3,(H,33,37)(H,34,36)(H,38,39)(H4,30,31,32)/t22-,23-/m0/s1
PubChem CID89570461
ChEMBLCHEMBL3736325
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
527604C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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