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Ligand

NameCHEMBL3735507
Molecular formulaC21H28BrN7O5
IUPAC name(2S)-2-[[2-[(1S,2S)-1-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutyl]-1,3-oxazole-4-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight538.403
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP0.9
SynonymsSCHEMBL16154173
Inchi KeyIORMEDGSRKTVIP-PJODQICGSA-N
Inchi IDInChI=1S/C21H28BrN7O5/c1-3-11(2)16(29-17(30)12-7-13(22)9-25-8-12)19-28-15(10-34-19)18(31)27-14(20(32)33)5-4-6-26-21(23)24/h7-11,14,16H,3-6H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)(H4,23,24,26)/t11-,14-,16-/m0/s1
PubChem CID71525749
ChEMBLCHEMBL3735507
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
525510C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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