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Ligand

NameCHEMBL3735332
Molecular formulaC26H38N6O6
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-1-[3-(4-methoxyphenyl)propanoylamino]-3-methylbutyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight530.626
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP1.9
SynonymsSCHEMBL16156889
Inchi KeyMSWXLFVKDZHRQN-PMACEKPBSA-N
Inchi IDInChI=1S/C26H38N6O6/c1-15(2)14-20(30-21(33)12-9-17-7-10-18(37-4)11-8-17)24-32-22(16(3)38-24)23(34)31-19(25(35)36)6-5-13-29-26(27)28/h7-8,10-11,15,19-20H,5-6,9,12-14H2,1-4H3,(H,30,33)(H,31,34)(H,35,36)(H4,27,28,29)/t19-,20-/m0/s1
PubChem CID117637114
ChEMBLCHEMBL3735332
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
527634C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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