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Ligand

NameCHEMBL404661
Molecular formulaC18H17BrFN3O3S
IUPAC name1-[2-[5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-methylsulfonylurea
Molecular weight454.314
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.5
SynonymsBDBM50236296
1-(2-(5-bromo-2-(4-fluorophenyl)-1H-indol-3-yl)ethyl)-3-(methylsulfonyl)urea
Inchi KeyASQXPPFKSBAWCP-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17BrFN3O3S/c1-27(25,26)23-18(24)21-9-8-14-15-10-12(19)4-7-16(15)22-17(14)11-2-5-13(20)6-3-11/h2-7,10,22H,8-9H2,1H3,(H2,21,23,24)
PubChem CID44447944
ChEMBLCHEMBL404661
IUPHARN/A
BindingDB50236296
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
13444C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
13445C-X-C chemokine receptor type 2P35344CXCR2Oryctolagus cuniculus (Rabbit)358

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