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

NameCHEMBL113674
Molecular formulaC24H26N2O3
IUPAC name2-[4-[(6-butyl-8-oxo-5,7-diazaspiro[3.4]oct-5-en-7-yl)methyl]phenyl]benzoic acid
Molecular weight390.483
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.1
Synonyms4''-(6-Butyl-8-oxo-5,7-diaza-spiro[3.4]oct-5-en-7-ylmethyl)-biphenyl-2-carboxylic acid
BDBM50042238
4'-[(6-Butyl-8-oxo-5,7-diazaspiro[3.4]oct-5-en-7-yl)methyl]-1,1'-biphenyl-2-carboxylic acid
Inchi KeyFNLKLBNPUDPIHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26N2O3/c1-2-3-9-21-25-24(14-6-15-24)23(29)26(21)16-17-10-12-18(13-11-17)19-7-4-5-8-20(19)22(27)28/h4-5,7-8,10-13H,2-3,6,9,14-16H2,1H3,(H,27,28)
PubChem CID44342047
ChEMBLCHEMBL113674
IUPHARN/A
BindingDB50042238
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
82705Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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