Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

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

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

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

You can:

Ligand

NameCHEMBL1169652
Molecular formulaC20H13ClN2O5S
IUPAC name2-[2-[(4-chlorophenyl)sulfonylamino]-4-cyanophenoxy]benzoic acid
Molecular weight428.843
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50416295
Inchi KeyLBRSBMPJWFLCEE-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H13ClN2O5S/c21-14-6-8-15(9-7-14)29(26,27)23-17-11-13(12-22)5-10-19(17)28-18-4-2-1-3-16(18)20(24)25/h1-11,23H,(H,24,25)
PubChem CID49798291
ChEMBLCHEMBL1169652
IUPHARN/A
BindingDB50416295
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
183515C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374
183516C-C chemokine receptor type 2P51683Ccr2Mus musculus (Mouse)373

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218