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 DMFold 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

NameCHEMBL1214415
Molecular formulaC24H18N6O3
IUPAC name(E)-3-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-1-[2-hydroxy-5-(2H-tetrazol-5-yl)phenyl]prop-2-en-1-one
Molecular weight438.447
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP4.2
Synonyms3-(4-((1H-benzo[d]imidazol-2-yl)methoxy)phenyl)-1-(2-hydroxy-5-(1H-tetrazol-5-yl)phenyl)prop-2-en-1-one
BDBM50323896
Inchi KeyDCODKKUTGXHLGW-YRNVUSSQSA-N
Inchi IDInChI=1S/C24H18N6O3/c31-21(18-13-16(8-12-22(18)32)24-27-29-30-28-24)11-7-15-5-9-17(10-6-15)33-14-23-25-19-3-1-2-4-20(19)26-23/h1-13,32H,14H2,(H,25,26)(H,27,28,29,30)/b11-7+
PubChem CID136127005
ChEMBLCHEMBL1214415
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
559013Cysteinyl leukotriene receptor 1Q9Y271CYSLTR1Homo sapiens (Human)337

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