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Ligand

NameCHEMBL3735180
Molecular formulaC26H38N6O7
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-1-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylbutyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight546.625
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP1.6
SynonymsSCHEMBL16154189
Inchi KeyLYARSMVJBPEPRO-ROUUACIJSA-N
Inchi IDInChI=1S/C26H38N6O7/c1-14(2)11-18(30-21(33)13-16-8-9-19(37-4)20(12-16)38-5)24-32-22(15(3)39-24)23(34)31-17(25(35)36)7-6-10-29-26(27)28/h8-9,12,14,17-18H,6-7,10-11,13H2,1-5H3,(H,30,33)(H,31,34)(H,35,36)(H4,27,28,29)/t17-,18-/m0/s1
PubChem CID117634965
ChEMBLCHEMBL3735180
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
527279C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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