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Ligand

NameCHEMBL3735495
Molecular formulaC25H36N6O6
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-1-[[2-(4-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
SynonymsSCHEMBL16154199
Inchi KeyMOFHBVRPLXQCFT-OALUTQOASA-N
Inchi IDInChI=1S/C25H36N6O6/c1-14(2)12-19(29-20(32)13-16-7-9-17(36-4)10-8-16)23-31-21(15(3)37-23)22(33)30-18(24(34)35)6-5-11-28-25(26)27/h7-10,14,18-19H,5-6,11-13H2,1-4H3,(H,29,32)(H,30,33)(H,34,35)(H4,26,27,28)/t18-,19-/m0/s1
PubChem CID117634975
ChEMBLCHEMBL3735495
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
527556C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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