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Ligand

NameCHEMBL403313
Molecular formulaC21H21FN4O3S
IUPAC name4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(dimethylsulfamoyl)butanamide
Molecular weight428.482
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50236292
4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(dimethylsulfamoyl)butanamide
Inchi KeyANXLTXNOZIKJSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21FN4O3S/c1-26(2)30(28,29)25-20(27)5-3-4-17-18-12-14(13-23)6-11-19(18)24-21(17)15-7-9-16(22)10-8-15/h6-12,24H,3-5H2,1-2H3,(H,25,27)
PubChem CID24879232
ChEMBLCHEMBL403313
IUPHARN/A
BindingDB50236292
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9988C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
9989C-X-C chemokine receptor type 2P35344CXCR2Oryctolagus cuniculus (Rabbit)358

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