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	AC1OA8CK
Molecular formula	C25H25N3O2S
IUPAC name	3-[(3,5-dimethylphenyl)carbamoyl]-6-ethyl-1-(4-methoxyphenyl)imidazo[1,2-a]pyridin-4-ium-2-thiolate
Molecular weight	431.554
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.7
Synonyms	(3,5-dimethylanilino)-[6-ethyl-1-(4-methoxyphenyl)-2-sulfanylideneimidazo[1,2-a]pyridin-4-ium-3-ylidene]methanolate MLS000517152 CHEMBL1519802 SMR000343312 AKOS002528745 HMS2753G18 [ Show all ]
Inchi Key	CFEBGEHJRYCBKB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H25N3O2S/c1-5-18-6-11-22-27(15-18)23(24(29)26-19-13-16(2)12-17(3)14-19)25(31)28(22)20-7-9-21(30-4)10-8-20/h6-15H,5H2,1-4H3,(H-,26,29,31)
PubChem CID	6800739
ChEMBL	CHEMBL1519802
IUPHAR	N/A
BindingDB	N/A
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
40561	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
40559	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
40562	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
40560	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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