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Ligand

NameCHEMBL3736489
Molecular formulaC28H42N6O5
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-3-methyl-1-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight542.681
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP3.4
SynonymsN/A
Inchi KeyFCUFGTKWVJJAOR-VRJTXETASA-N
Inchi IDInChI=1S/C28H42N6O5/c1-16(2)13-19-8-10-20(11-9-19)18(5)24(35)33-22(14-17(3)4)26-34-23(15-39-26)25(36)32-21(27(37)38)7-6-12-31-28(29)30/h8-11,15-18,21-22H,6-7,12-14H2,1-5H3,(H,32,36)(H,33,35)(H,37,38)(H4,29,30,31)/t18?,21-,22-/m0/s1
PubChem CID127034743
ChEMBLCHEMBL3736489
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
523750C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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