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

NameCHEMBL3342957
Molecular formulaC32H36N2O7
IUPAC name4-(5-carboxypentyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Molecular weight560.647
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.5
SynonymsBDBM50033087
SCHEMBL3095586
Inchi KeyAJWHKNGJIRLMHT-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H36N2O7/c35-29(36)15-5-2-7-20-34-22-28(32(38)39)41-30-26(13-9-14-27(30)34)33-31(37)24-16-18-25(19-17-24)40-21-8-6-12-23-10-3-1-4-11-23/h1,3-4,9-11,13-14,16-19,28H,2,5-8,12,15,20-22H2,(H,33,37)(H,35,36)(H,38,39)
PubChem CID23124775
ChEMBLCHEMBL3342957
IUPHARN/A
BindingDB50033087
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
441994Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337
441993Cysteinyl leukotriene receptor 2Q9NS75CYSLTR2Homo sapiens (Human)346

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