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Ligand

NameCHEMBL3736337
Molecular formulaC24H31F3N6O5
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[5-methyl-2-[(1S)-3-methyl-1-[[4-(trifluoromethyl)benzoyl]amino]butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight540.544
Hydrogen bond acceptor10
Hydrogen bond donor5
XlogP2.6
SynonymsN/A
Inchi KeyHZZPWXWAJRDGNZ-IRXDYDNUSA-N
Inchi IDInChI=1S/C24H31F3N6O5/c1-12(2)11-17(32-19(34)14-6-8-15(9-7-14)24(25,26)27)21-33-18(13(3)38-21)20(35)31-16(22(36)37)5-4-10-30-23(28)29/h6-9,12,16-17H,4-5,10-11H2,1-3H3,(H,31,35)(H,32,34)(H,36,37)(H4,28,29,30)/t16-,17-/m0/s1
PubChem CID127035108
ChEMBLCHEMBL3736337
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
525229C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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