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Ligand

NameCHEMBL3901521
Molecular formulaC30H38N4O5
IUPAC nameN-[(2S)-3-cyclohexyl-1-[[(2S,3R)-3-hydroxy-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylbutan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight534.657
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.5
SynonymsSCHEMBL15120237
Inchi KeyJEUFCDHSENONPA-PSUQPPDWSA-N
Inchi IDInChI=1S/C30H38N4O5/c1-20(35)26(29(38)34-17-14-30(15-18-34)13-11-22-9-5-6-10-23(22)30)33-27(36)24(19-21-7-3-2-4-8-21)32-28(37)25-12-16-31-39-25/h5-6,9-13,16,20-21,24,26,35H,2-4,7-8,14-15,17-19H2,1H3,(H,32,37)(H,33,36)/t20-,24+,26+/m1/s1
PubChem CID89697608
ChEMBLCHEMBL3901521
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
539816Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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