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

NameCHEMBL1083316
Molecular formulaC26H23ClN2O3S2
IUPAC name4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(thiophen-2-ylmethyl)benzamide
Molecular weight511.051
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.2
Synonyms4-({benzyl[(4-chlorophenyl)sulfonyl]amino}methyl)-N-(2-thienylmethyl)benzamide
BDBM50320131
SCHEMBL1169322
4-((N-benzyl-4-chlorophenylsulfonamido)methyl)-N-(thiophen-2-ylmethyl)benzamide
AXOKQRAETZYQKZ-UHFFFAOYSA-N
Inchi KeyAXOKQRAETZYQKZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H23ClN2O3S2/c27-23-12-14-25(15-13-23)34(31,32)29(18-20-5-2-1-3-6-20)19-21-8-10-22(11-9-21)26(30)28-17-24-7-4-16-33-24/h1-16H,17-19H2,(H,28,30)
PubChem CID46891078
ChEMBLCHEMBL1083316
IUPHARN/A
BindingDB50320131
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16914C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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