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

NameCHEMBL69221
Molecular formulaC25H19F3N6O3
IUPAC namemethyl 3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(2,2,2-trifluoroethoxy)benzimidazole-4-carboxylate
Molecular weight508.461
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50044398
SCHEMBL3975946
3-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-(2,2,2-trifluoroethoxy)-3H-benzimidazole-4-carboxylic acid methyl ester
3-[2''-(1H-Tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-(2,2,2-trifluoro-ethoxy)-3H-benzoimidazole-4-carboxylic acid methyl ester
Inchi KeyBSQODZCCWHMNPZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H19F3N6O3/c1-36-23(35)19-7-4-8-20-21(19)34(24(29-20)37-14-25(26,27)28)13-15-9-11-16(12-10-15)17-5-2-3-6-18(17)22-30-32-33-31-22/h2-12H,13-14H2,1H3,(H,30,31,32,33)
PubChem CID15654734
ChEMBLCHEMBL69221
IUPHARN/A
BindingDB50044398
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
31913Type-1 angiotensin II receptorP25104AGTR1Bos taurus (Bovine)359

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