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

NameCHEMBL2181251
Molecular formulaC20H15Cl2N3O2
IUPAC name[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
Molecular weight400.259
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.7
SynonymsSCHEMBL2219134
[4-(2,5-Dichloro-phenoxy)-pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)-methanone
BDBM50399945
FGKIZYHSOOCLGM-UHFFFAOYSA-N
Inchi KeyFGKIZYHSOOCLGM-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15Cl2N3O2/c21-14-7-8-16(22)18(10-14)27-19-15(11-23-12-24-19)20(26)25-9-3-5-13-4-1-2-6-17(13)25/h1-2,4,6-8,10-12H,3,5,9H2
PubChem CID53311618
ChEMBLCHEMBL2181251
IUPHARN/A
BindingDB50399945
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
77842G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330

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