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	MLS000331887
Molecular formula	C11H12N6O2S
IUPAC name	4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
Molecular weight	292.317
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.0
Synonyms	HMS2557H06 4-methoxy-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]benzamide AP-970/42445617 MolPort-001-589-006 4-methoxy-N-[[(2-methyl-5-tetrazolyl)amino]-sulfanylidenemethyl]benzamide CHEMBL1386972 STK743522 1-(4-Methoxy-benzoyl)-3-(2-methyl-2H-tetrazol-5-yl)-thiourea AC1LIUJD MCULE-1409495298 4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide BDBM67238 N-(4-methoxybenzoyl)-N'-(2-methyl-2H-tetraazol-5-yl)thiourea 587010-25-1 cid_938458 ZINC533424 4-methoxy-N-[(2-methyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]benzamide AKOS000465942 4-methoxy-N-[(2-methyltetrazol-5-yl)thiocarbamoyl]benzamide SMR000221339 [ Show all ]
Inchi Key	DBXOVTUVEZVYTC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H12N6O2S/c1-17-15-10(14-16-17)13-11(20)12-9(18)7-3-5-8(19-2)6-4-7/h3-6H,1-2H3,(H2,12,13,15,18,20)
PubChem CID	938458
ChEMBL	CHEMBL1386972
IUPHAR	N/A
BindingDB	67238
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
56102	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
56101	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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