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

NameCHEMBL605986
Molecular formulaC19H17ClN2O2
IUPAC name3-(2-chlorophenyl)-N,5-dimethyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
Molecular weight340.807
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50415374
Inchi KeyBXZROKTZVUKOOD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17ClN2O2/c1-12-8-4-7-11-16(12)22(3)19(23)17-13(2)24-21-18(17)14-9-5-6-10-15(14)20/h4-11H,1-3H3
PubChem CID46233023
ChEMBLCHEMBL605986
IUPHARN/A
BindingDB50415374
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35586G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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