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	MLS000528306
Molecular formula	C14H12N4S
IUPAC name	N-(3-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
Molecular weight	268.338
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	AUWIYYMLXLLRIY-UHFFFAOYSA-N MCULE-7785909335 SJ000113257 (3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine CCG-120096 N-(3-methyl-2-pyridinyl)-4-(2-pyridinyl)-2-thiazolamine TCMDC-125846 AC1LJEER cid_972880 N-(3-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine (3-methyl(2-pyridyl))(4-(2-pyridyl)(1,3-thiazol-2-yl))amine BAS 08770268 SMR000120881 2-(3-methylpyridylamino)-4-(2-pyridyl)thiazole N-(3-methyl-2-pyridyl)-4-(2-pyridyl)thiazol-2-amine ZINC613283 AKOS000563477 HMS2177P16 SCHEMBL16112373 (3-methyl-2-pyridyl)-[4-(2-pyridyl)thiazol-2-yl]amine BDBM49381 MolPort-002-013-561 ST090278 CHEMBL528694 N-(3-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine [ Show all ]
Inchi Key	AUWIYYMLXLLRIY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H12N4S/c1-10-5-4-8-16-13(10)18-14-17-12(9-19-14)11-6-2-3-7-15-11/h2-9H,1H3,(H,16,17,18)
PubChem CID	972880
ChEMBL	CHEMBL528694
IUPHAR	N/A
BindingDB	49381
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
15021	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
15023	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
15020	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
15022	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
15019	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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