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Ligand

NameCHEMBL3734765
Molecular formulaC29H34N6O5
IUPAC name(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-1-(9H-fluorene-9-carbonylamino)-3-methylbutyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
Molecular weight546.628
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP2.6
SynonymsSCHEMBL14952098
Inchi KeyBSPKMHJPUIHUSL-VXKWHMMOSA-N
Inchi IDInChI=1S/C29H34N6O5/c1-16(2)14-22(34-26(37)24-19-10-5-3-8-17(19)18-9-4-6-11-20(18)24)27-35-23(15-40-27)25(36)33-21(28(38)39)12-7-13-32-29(30)31/h3-6,8-11,15-16,21-22,24H,7,12-14H2,1-2H3,(H,33,36)(H,34,37)(H,38,39)(H4,30,31,32)/t21-,22-/m0/s1
PubChem CID71565581
ChEMBLCHEMBL3734765
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
522511C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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