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	MLS000326742
Molecular formula	C17H10Cl2F3N3OS
IUPAC name	1-(4-chlorophenyl)-2-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]imidazol-2-yl]sulfanylethanone
Molecular weight	432.242
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.3
Synonyms	2-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-imidazol-2-yl}sulfanyl)-1-(4-chlorophenyl)ethan-1-one REGID_for_CID_1476513 4K-029 HMS2166N14 1-(4-chlorophenyl)-2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-imidazolyl]thio]ethanone AKOS005090059 2-[1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]imidazol-2-yl]sulfanyl-1-(4-chlorophenyl)ethanone CHEMBL1539107 SMR000179250 1-(4-chlorophenyl)-2-({1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-imidazol-2-yl}sulfanyl)-1-ethanone KS-000037MJ 1-(4-chlorophenyl)-2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]imidazol-2-yl]thio]ethanone BDBM79983 MolPort-002-868-412 339276-71-0 cid_1476513 ZINC1388734 1-(4-chlorophenyl)-2-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]imidazol-2-yl]sulfanylethanone AC1LRRWU MCULE-5203892537 [ Show all ]
Inchi Key	ANNWRJXOLOYOMV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H10Cl2F3N3OS/c18-12-3-1-10(2-4-12)14(26)9-27-16-23-5-6-25(16)15-13(19)7-11(8-24-15)17(20,21)22/h1-8H,9H2
PubChem CID	1476513
ChEMBL	CHEMBL1539107
IUPHAR	N/A
BindingDB	79983
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
9718	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374

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