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

NameSCHEMBL3309210
Molecular formulaC21H21F2NO3
IUPAC name5,6-difluoro-2-[(3-methyl-2-propylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
Molecular weight373.4
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
SynonymsHCLWVZVGWADYDV-UHFFFAOYSA-N
CHEMBL3718266
5,6-Difluoro-2-(3-methyl-2-propyl-benzoylamino)-indan-2-carboxylic acid
Inchi KeyHCLWVZVGWADYDV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21F2NO3/c1-3-5-15-12(2)6-4-7-16(15)19(25)24-21(20(26)27)10-13-8-17(22)18(23)9-14(13)11-21/h4,6-9H,3,5,10-11H2,1-2H3,(H,24,25)(H,26,27)
PubChem CID59314127
ChEMBLCHEMBL3718266
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
524748C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372

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