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

NameMLS000761483
Molecular formulaC20H19ClN2O
IUPAC name7-[(2-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol
Molecular weight338.835
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsSMR000371583
7-[(2-chlorophenyl)-pyrrolidin-1-ylmethyl]quinolin-8-ol
AC1NPY8G
Oprea1_225050
Oprea1_813706
[ Show all ]
Inchi KeyAATWULBPEFPAGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19ClN2O/c21-17-8-2-1-7-15(17)19(23-12-3-4-13-23)16-10-9-14-6-5-11-22-18(14)20(16)24/h1-2,5-11,19,24H,3-4,12-13H2
PubChem CID5187118
ChEMBLCHEMBL1585527
IUPHARN/A
BindingDB64703
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538Apelin receptorP35414APLNRHomo sapiens (Human)380
537Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
539Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
542Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
540Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
541Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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