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Ligand

NameCHEMBL3734890
Molecular formulaC25H36N6O6
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-1-[[2-(2-methoxyphenyl)acetyl]amino]-3-methylbutyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight516.599
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP1.6
SynonymsSCHEMBL16156887
Inchi KeyGKKFCHGJQLOMQK-ROUUACIJSA-N
Inchi IDInChI=1S/C25H36N6O6/c1-14(2)12-18(29-20(32)13-16-8-5-6-10-19(16)36-4)23-31-21(15(3)37-23)22(33)30-17(24(34)35)9-7-11-28-25(26)27/h5-6,8,10,14,17-18H,7,9,11-13H2,1-4H3,(H,29,32)(H,30,33)(H,34,35)(H4,26,27,28)/t17-,18-/m0/s1
PubChem CID117637113
ChEMBLCHEMBL3734890
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
524412C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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