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

NameCHEMBL403153
Molecular formulaC24H40N2O5S
IUPAC name(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-3-(carboxyamino)propyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Molecular weight468.653
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP1.9
SynonymsN/A
Inchi KeyFQJAMDUWBIUICP-ITRMZWSLSA-N
Inchi IDInChI=1S/C24H40N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(27)15-14-17-23(28)29)32-19-20(25)18-26-24(30)31/h6-7,9-13,16,20-22,26-27H,2-5,8,14-15,17-19,25H2,1H3,(H,28,29)(H,30,31)/b7-6-,10-9-,12-11+,16-13+/t20-,21+,22-/m1/s1
PubChem CID44448209
ChEMBLCHEMBL403153
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
84768Cysteinyl leukotriene receptor 1Q924T8Cysltr1Rattus norvegicus (Rat)339

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417