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

NameCHEMBL22692
Molecular formulaC25H25N5O3
IUPAC namemethyl 6-methyl-2-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylate
Molecular weight443.507
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.6
Synonyms6-Methyl-2-propyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethoxy]-nicotinic acid methyl ester
2-Propyl-6-methyl-4-[[[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]oxy]pyridine-3-carboxylic acid methyl ester
BDBM50047121
Inchi KeyQYIWQDZBBVGRJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25N5O3/c1-4-7-21-23(25(31)32-3)22(14-16(2)26-21)33-15-17-10-12-18(13-11-17)19-8-5-6-9-20(19)24-27-29-30-28-24/h5-6,8-14H,4,7,15H2,1-3H3,(H,27,28,29,30)
PubChem CID14950504
ChEMBLCHEMBL22692
IUPHARN/A
BindingDB50047121
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
289825Type-1 angiotensin II receptorQ9WV26AGTR1Cavia porcellus (Guinea pig)359

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