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

You can:

Ligand

NameCHEMBL179979
Molecular formulaC18H10F6N2OS
IUPAC name[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]-[2-(trifluoromethyl)phenyl]methanone
Molecular weight416.341
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50162691
SCHEMBL5634748
(2-Trifluoromethyl-phenyl)-[2-(3-trifluoromethyl-phenylamino)-thiazol-5-yl]-methanone
Inchi KeyIGURROUMZLDVOG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H10F6N2OS/c19-17(20,21)10-4-3-5-11(8-10)26-16-25-9-14(28-16)15(27)12-6-1-2-7-13(12)18(22,23)24/h1-9H,(H,25,26)
PubChem CID44390156
ChEMBLCHEMBL179979
IUPHARN/A
BindingDB50162691
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
132909Neuropeptide Y receptor type 5O70342Npy5rMus musculus (Mouse)466

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