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	UNM000003612901
Molecular formula	C20H19NO2S
IUPAC name	4-(3-methylphenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
Molecular weight	337.437
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.7
Synonyms	CHEMBL1559320 STK406650 4-(3-methylphenyl)-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione AKOS000664770 HMS1497B15 4-(3-methylphenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione BDBM40455 MolPort-000-915-530 7-Thiophen-2-yl-4-m-tolyl-4,6,7,8-tetrahydro-1H,3H-quinoline-2,5-dione ChemDiv3_008485 4-(3-methylphenyl)-7-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione AKOS022032725 IDI1_026395 4-(m-tolyl)-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-quinone ST50318226 AC1O5RPP cid_6462587 4-(3-methylphenyl)-7-thien-2-yl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione BAS 14393591 MCULE-8533975758 [ Show all ]
Inchi Key	AODLUYOBLGFFGE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19NO2S/c1-12-4-2-5-13(8-12)15-11-19(23)21-16-9-14(10-17(22)20(15)16)18-6-3-7-24-18/h2-8,14-15H,9-11H2,1H3,(H,21,23)
PubChem CID	6462587
ChEMBL	CHEMBL1559320
IUPHAR	N/A
BindingDB	40455
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
10134	fMet-Leu-Phe receptor	P21462	FPR1	Homo sapiens (Human)	350
10135	N-formyl peptide receptor 2	P25090	FPR2	Homo sapiens (Human)	351

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