Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3920035
Molecular formulaC22H18F2N4O2
IUPAC name[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-indazol-4-yl)methanone
Molecular weight408.409
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsSCHEMBL15896775
BDBM50203951
Inchi KeyAFBBJXGWDCXMJK-IBGZPJMESA-N
Inchi IDInChI=1S/C22H18F2N4O2/c23-22(24)10-11-28(21(29)15-5-3-7-18-16(15)12-25-27-18)13-19(22)30-20-9-8-14-4-1-2-6-17(14)26-20/h1-9,12,19H,10-11,13H2,(H,25,27)/t19-/m0/s1
PubChem CID90298326
ChEMBLCHEMBL3920035
IUPHARN/A
BindingDB50203951
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
536023Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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