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Ligand

NameCHEMBL2182037
Molecular formulaC29H29N5O5S
IUPAC name[(1R)-1-phenylethyl] N-[5-methyl-3-[4-[4-[1-(methylsulfonylcarbamoyl)cyclopropyl]phenyl]phenyl]triazol-4-yl]carbamate
Molecular weight559.641
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.3
Synonyms{3-[4'-(1-methanesulfonylaminocarbonyl-cyclopropyl)-biphenyl-4-yl]-5-methyl-3H-[1,2,3]triazol-4-yl}-carbamic acid (R)-1-phenyl-ethyl ester
BDBM50398116
FJLBJDCQCPHBIU-HXUWFJFHSA-N
SCHEMBL16707819
Inchi KeyFJLBJDCQCPHBIU-HXUWFJFHSA-N
Inchi IDInChI=1S/C29H29N5O5S/c1-19-26(30-28(36)39-20(2)21-7-5-4-6-8-21)34(33-31-19)25-15-11-23(12-16-25)22-9-13-24(14-10-22)29(17-18-29)27(35)32-40(3,37)38/h4-16,20H,17-18H2,1-3H3,(H,30,36)(H,32,35)/t20-/m1/s1
PubChem CID71450322
ChEMBLCHEMBL2182037
IUPHARN/A
BindingDB50398116
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
79844Lysophosphatidic acid receptor 1Q92633LPAR1Homo sapiens (Human)364
79843Lysophosphatidic acid receptor 3Q9UBY5LPAR3Homo sapiens (Human)353

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