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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 DMFold 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

NameCHEMBL2207100
Molecular formulaC13H9Cl3N4O2S2
IUPAC name5-chloro-N-[4,5-dichloro-2-(triazol-1-ylmethyl)phenyl]thiophene-2-sulfonamide
Molecular weight423.711
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.0
SynonymsBDBM50401546
Inchi KeyDRHNPWMFAGWFPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H9Cl3N4O2S2/c14-9-5-8(7-20-4-3-17-19-20)11(6-10(9)15)18-24(21,22)13-2-1-12(16)23-13/h1-6,18H,7H2
PubChem CID71454248
ChEMBLCHEMBL2207100
IUPHARN/A
BindingDB50401546
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
66976C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355
66975C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
66977C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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