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

NameCHEMBL132408
Molecular formulaC27H24N8O
IUPAC name[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]indol-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
Molecular weight476.544
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.7
Synonyms3-[N-(2-tetrazol-5-yl-benzoyl)-5-indolyl]methyl-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
[5-(2-Ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-4-ylmethyl)-indol-1-yl]-[2-(1H-tetrazol-5-yl)-phenyl]-methanone
BDBM50043436
L007654
SCHEMBL9662040
[ Show all ]
Inchi KeyAFOQZUNUKPCIHO-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H24N8O/c1-4-23-29-24-16(2)13-17(3)28-26(24)35(23)15-18-9-10-22-19(14-18)11-12-34(22)27(36)21-8-6-5-7-20(21)25-30-32-33-31-25/h5-14H,4,15H2,1-3H3,(H,30,31,32,33)
PubChem CID10367704
ChEMBLCHEMBL132408
IUPHARN/A
BindingDB50043436
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4361Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
4360Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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