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Ligand

NameCHEMBL3752235
Molecular formulaC30H44N4O5
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[(2-butan-2-yloxyphenyl)methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight540.705
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP6.3
SynonymsBDBM50138043
Inchi KeyJXEROGFKOZXVRH-IIAACTKASA-N
Inchi IDInChI=1S/C30H44N4O5/c1-5-20(3)27(30(37)31-19-23-14-10-11-15-25(23)38-21(4)6-2)34-28(35)24(18-22-12-8-7-9-13-22)33-29(36)26-16-17-32-39-26/h10-11,14-17,20-22,24,27H,5-9,12-13,18-19H2,1-4H3,(H,31,37)(H,33,36)(H,34,35)/t20-,21?,24-,27-/m0/s1
PubChem CID71511553
ChEMBLCHEMBL3752235
IUPHARN/A
BindingDB50138043
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
526151Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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