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

NameCHEMBL2181244
Molecular formulaC19H15Cl2N3O3
IUPAC name4-(2,5-dichlorophenoxy)-N-(2-methoxyphenyl)-N-methylpyrimidine-5-carboxamide
Molecular weight404.247
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50399944
Inchi KeyDWBDWTLBGPVCTD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15Cl2N3O3/c1-24(15-5-3-4-6-16(15)26-2)19(25)13-10-22-11-23-18(13)27-17-9-12(20)7-8-14(17)21/h3-11H,1-2H3
PubChem CID71461057
ChEMBLCHEMBL2181244
IUPHARN/A
BindingDB50399944
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
70447G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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