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I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

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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

NameSCHEMBL343875
Molecular formulaC20H13ClN4O4S
IUPAC nameN-[4-chloro-2-(pyrimidine-2-carbonyl)phenyl]-4-(1,3-oxazol-5-yl)benzenesulfonamide
Molecular weight440.858
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
SynonymsASBVEFRFMRHTKN-UHFFFAOYSA-N
N-[4-Chloro-2-(pyrimidine-2-carbonyl)-phenyl]-4-oxazol-5-yl-benzenesulfonamide
CHEMBL3714920
Inchi KeyASBVEFRFMRHTKN-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H13ClN4O4S/c21-14-4-7-17(16(10-14)19(26)20-23-8-1-9-24-20)25-30(27,28)15-5-2-13(3-6-15)18-11-22-12-29-18/h1-12,25H
PubChem CID10003401
ChEMBLCHEMBL3714920
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
521839C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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