Zhang Lab

University of Michigan

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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL147177
Molecular formula	C17H16N2O3S
IUPAC name	2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone
Molecular weight	328.386
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.7
Synonyms	ZINC344642 BDBM50068615 2-(1H-Benzoimidazol-2-ylsulfanyl)-1-(3,4-dimethoxy-phenyl)-ethanone MCULE-2409209260 Oprea1_584943 AKOS000560262 1-(3,4-Dimethoxyphenyl)-2-(1H-benzimidazole-2-ylthio)ethanone MolPort-001-886-714 STK859647 BAS 00619403 2-(1H-benzimidazol-2-ylsulfanyl)-1-(3,4-dimethoxyphenyl)ethanone Oprea1_067342 AC1LGQX7 [ Show all ]
Inchi Key	BCEMQHOYQURRFT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16N2O3S/c1-21-15-8-7-11(9-16(15)22-2)14(20)10-23-17-18-12-5-3-4-6-13(12)19-17/h3-9H,10H2,1-2H3,(H,18,19)
PubChem CID	825433
ChEMBL	CHEMBL147177
IUPHAR	N/A
BindingDB	50068615
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
20097	Glucagon receptor	P47871	GCGR	Homo sapiens (Human)	477

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