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

NameCHEMBL3808985
Molecular formulaC29H22ClN3O3
IUPAC name3-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]anilino]-3-oxopropyl]-1H-indole-2-carboxylic acid
Molecular weight495.963
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP6.2
SynonymsBDBM50172345
Inchi KeyUCODOAJGJJPFLY-XYOKQWHBSA-N
Inchi IDInChI=1S/C29H22ClN3O3/c30-20-11-9-19-10-13-21(31-26(19)17-20)12-8-18-4-3-5-22(16-18)32-27(34)15-14-24-23-6-1-2-7-25(23)33-28(24)29(35)36/h1-13,16-17,33H,14-15H2,(H,32,34)(H,35,36)/b12-8+
PubChem CID127043237
ChEMBLCHEMBL3808985
IUPHARN/A
BindingDB50172345
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
530859Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
530858Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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