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

NameCHEMBL2312063
Molecular formulaC16H15ClN2O2S2
IUPAC name2-[(3-chlorophenyl)methylsulfanyl]-6-ethylsulfonyl-1H-benzimidazole
Molecular weight366.878
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50424191
Inchi KeyNAQYYPCMJQAEFU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H15ClN2O2S2/c1-2-23(20,21)13-6-7-14-15(9-13)19-16(18-14)22-10-11-4-3-5-12(17)8-11/h3-9H,2,10H2,1H3,(H,18,19)
PubChem CID71518852
ChEMBLCHEMBL2312063
IUPHARN/A
BindingDB50424191
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
218693Neuropeptide Y receptor type 5O70342Npy5rMus musculus (Mouse)466

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