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

NameCHEMBL2178049
Molecular formulaC17H12Cl2N2OS2
IUPAC name(NZ)-N-[1-(2,5-dichlorothiophen-3-yl)-2-(3-phenylpyridin-4-yl)sulfanylethylidene]hydroxylamine
Molecular weight395.316
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.3
SynonymsN/A
Inchi KeyIXRMDBAFPTZNIF-KGENOOAVSA-N
Inchi IDInChI=1S/C17H12Cl2N2OS2/c18-16-8-12(17(19)24-16)14(21-22)10-23-15-6-7-20-9-13(15)11-4-2-1-3-5-11/h1-9,22H,10H2/b21-14+
PubChem CID71459029
ChEMBLCHEMBL2178049
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
144223Glucagon-like peptide 2 receptorO95838GLP2RHomo sapiens (Human)553

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