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

NameCHEMBL37679
Molecular formulaC23H23ClN2O4S
IUPAC name4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]-3-chlorobenzoic acid
Molecular weight458.957
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM50011975
(E)-3-[2-Butyl-1-(4-carboxy-2-chlorobenzyl)-1H-imidazol-5-yl]-2-(2-thienylmethyl)acrylic acid
L004543
4-[2-Butyl-5-(2-carboxy-3-thiophen-2-yl-propenyl)-imidazol-1-ylmethyl]-3-chloro-benzoic acid
1-[2-Chloro-4-carboxybenzyl]-2-butyl-alpha-[(2-thienyl)methyl]-1H-imidazole-5-propenoic acid
[ Show all ]
Inchi KeyCJLUYTOIWIIXFZ-LICLKQGHSA-N
Inchi IDInChI=1S/C23H23ClN2O4S/c1-2-3-6-21-25-13-18(10-17(23(29)30)11-19-5-4-9-31-19)26(21)14-16-8-7-15(22(27)28)12-20(16)24/h4-5,7-10,12-13H,2-3,6,11,14H2,1H3,(H,27,28)(H,29,30)/b17-10+
PubChem CID10321941
ChEMBLCHEMBL37679
IUPHARN/A
BindingDB50011975
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43476Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359
43477Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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