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 DMFold 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

NameSCHEMBL3309730
Molecular formulaC20H16N2O3
IUPAC name2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
Molecular weight332.359
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
SynonymsWKRUMDBYGBYCOL-UHFFFAOYSA-N
CHEMBL3716491
2-[(Quinoline-8-carbonyl)-amino]-indan-2-carboxylic acid
Inchi KeyWKRUMDBYGBYCOL-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H16N2O3/c23-18(16-9-3-7-13-8-4-10-21-17(13)16)22-20(19(24)25)11-14-5-1-2-6-15(14)12-20/h1-10H,11-12H2,(H,22,23)(H,24,25)
PubChem CID59314257
ChEMBLCHEMBL3716491
IUPHARN/A
BindingDBN/A
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
532104C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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