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	MLS000033400
Molecular formula	C13H9Cl2N5O2
IUPAC name	3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide
Molecular weight	338.148
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.5
Synonyms	3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)isoxazole-4-carboxamide BDBM56828 MLS002535170 3-[2,6-bis(chloranyl)phenyl]-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide CHEMBL1379251 ST50236284 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide AKOS000675796 MCULE-8095847633 [3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]-N-(1,2,4-triazol-4-yl)carboxami de 3-(2,6-dichlorophenyl)-5-methyl-N-(4H-1,2,4-triazol-4-yl)-1,2-oxazole-4-carboxamide Cambridge id 5536804 MolPort-001-669-606 AC1LCOXH cid_653675 STK395920 3-(2,6-dichlorophenyl)-5-methyl-N-(1,2,4-triazol-4-yl)-4-isoxazolecarboxamide BAS 00629242 3-(2,6-dichlorophenyl)-5-methyl-N-(4H-1,2,4-triazol-4-yl)-4-isoxazolecarboxamide SMR000009301 3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [1,2,4]triazol-4-ylamide AG-690/37071262 HMS2295J23 ZINC304234 [ Show all ]
Inchi Key	AGMQKWUVLYPZHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H9Cl2N5O2/c1-7-10(13(21)18-20-5-16-17-6-20)12(19-22-7)11-8(14)3-2-4-9(11)15/h2-6H,1H3,(H,18,21)
PubChem CID	653675
ChEMBL	CHEMBL1379251
IUPHAR	N/A
BindingDB	N/A
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
463494	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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