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 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

You can:

Ligand

NameMLS000528306
Molecular formulaC14H12N4S
IUPAC nameN-(3-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
Molecular weight268.338
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsAKOS000563477
HMS2177P16
SCHEMBL16112373
(3-methyl-2-pyridyl)-[4-(2-pyridyl)thiazol-2-yl]amine
BDBM49381
[ Show all ]
Inchi KeyAUWIYYMLXLLRIY-UHFFFAOYSA-N
Inchi IDInChI=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 CID972880
ChEMBLCHEMBL528694
IUPHARN/A
BindingDB49381
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15021Apelin receptorP35414APLNRHomo sapiens (Human)380
15023Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
15020Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
15022Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
15019Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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