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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameSCHEMBL1199104
Molecular formulaC17H18Cl2N4O4S
IUPAC name1-(4-chloro-2-hydroxy-3-piperidin-4-ylsulfonylphenyl)-3-(2-chloropyridin-3-yl)urea
Molecular weight445.315
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.6
SynonymsCHEMBL3892206
Inchi KeyAXDQQCQGTFACRR-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18Cl2N4O4S/c18-11-3-4-12(22-17(25)23-13-2-1-7-21-16(13)19)14(24)15(11)28(26,27)10-5-8-20-9-6-10/h1-4,7,10,20,24H,5-6,8-9H2,(H2,22,23,25)
PubChem CID57649037
ChEMBLCHEMBL3892206
IUPHARN/A
BindingDBN/A
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
536412C-X-C chemokine receptor type 1P25024CXCR1Homo sapiens (Human)350
536413C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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