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Ligand

NameCHEMBL1270125
Molecular formulaC30H44N6O5
IUPAC nameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-[[5-oxo-5-(pyridin-3-ylmethylamino)pentyl]amino]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight568.719
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.9
SynonymsN/A
Inchi KeyKLLBQRUFCCGKRM-DDZLNHKNSA-N
Inchi IDInChI=1S/C30H44N6O5/c1-3-21(2)27(30(40)32-16-8-7-13-26(37)33-20-23-12-9-15-31-19-23)36-28(38)24(18-22-10-5-4-6-11-22)35-29(39)25-14-17-34-41-25/h9,12,14-15,17,19,21-22,24,27H,3-8,10-11,13,16,18,20H2,1-2H3,(H,32,40)(H,33,37)(H,35,39)(H,36,38)/t21-,24-,27-/m0/s1
PubChem CID49788308
ChEMBLCHEMBL1270125
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
172087Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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