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

NameCHEMBL300186
Molecular formulaC22H20N2O6
IUPAC name1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-propylimidazole-4,5-dicarboxylic acid
Molecular weight408.41
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.7
Synonyms1-(2''-Carboxy-biphenyl-4-ylmethyl)-2-propyl-1H-imidazole-4,5-dicarboxylic acid
BDBM50049119
1-[(2'-Carboxy-1,1'-biphenyl-4-yl)methyl]-2-propyl-1H-imidazole-4,5-dicarboxylic acid
Inchi KeyHFTHXQBUJNFWTN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20N2O6/c1-2-5-17-23-18(21(27)28)19(22(29)30)24(17)12-13-8-10-14(11-9-13)15-6-3-4-7-16(15)20(25)26/h3-4,6-11H,2,5,12H2,1H3,(H,25,26)(H,27,28)(H,29,30)
PubChem CID10525501
ChEMBLCHEMBL300186
IUPHARN/A
BindingDB50049119
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
113737Type-1 angiotensin II receptorP25104AGTR1Bos taurus (Bovine)359

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