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

NameCHEMBL3597626
Molecular formulaC36H38ClNO5
IUPAC name5-[3-(2-carboxyethyl)-7-[2-[4-[4-(3-chloro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-1-yl]pentanoic acid
Molecular weight600.152
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP8.0
SynonymsBDBM50104913
Inchi KeyBFFACUFNGPXFFL-UHFFFAOYSA-N
Inchi IDInChI=1S/C36H38ClNO5/c1-25-28(10-8-13-33(25)37)9-4-6-24-43-30-19-16-27(17-20-30)15-18-29-11-7-12-32-31(21-22-35(41)42)26(2)38(36(29)32)23-5-3-14-34(39)40/h7-8,10-13,16-17,19-20H,3-6,9,14,21-24H2,1-2H3,(H,39,40)(H,41,42)
PubChem CID122183760
ChEMBLCHEMBL3597626
IUPHARN/A
BindingDB50104913
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
465638Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
465637Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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