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Ligand

NameCHEMBL2431717
Molecular formulaC27H38N4O5
IUPAC nameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight498.624
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.0
SynonymsBDBM50440862
SCHEMBL15120063
Inchi KeyCVXCZFZFHKSABI-XZOYJPPVSA-N
Inchi IDInChI=1S/C27H38N4O5/c1-4-18(2)24(27(34)28-17-20-12-8-9-13-22(20)35-3)31-25(32)21(16-19-10-6-5-7-11-19)30-26(33)23-14-15-29-36-23/h8-9,12-15,18-19,21,24H,4-7,10-11,16-17H2,1-3H3,(H,28,34)(H,30,33)(H,31,32)/t18-,21-,24-/m0/s1
PubChem CID56639666
ChEMBLCHEMBL2431717
IUPHARN/A
BindingDB50440862
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
51862Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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