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

NameCHEMBL267547
Molecular formulaC20H22ClN3O3
IUPAC name1-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]pyrrole-2-carboxylic acid
Molecular weight387.864
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
SynonymsSCHEMBL7621589
BDBM50046083
L007338
1-[4-[[2-Butyl-5-chloro-4-(hydroxymethyl)-1H-imidazol-1-yl]methyl]phenyl]-1H-pyrrole-2-carboxylic acid
Inchi KeyDIJMQJXPQOJOMH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22ClN3O3/c1-2-3-6-18-22-16(13-25)19(21)24(18)12-14-7-9-15(10-8-14)23-11-4-5-17(23)20(26)27/h4-5,7-11,25H,2-3,6,12-13H2,1H3,(H,26,27)
PubChem CID9886554
ChEMBLCHEMBL267547
IUPHARN/A
BindingDB50046083
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
60813Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359
60814Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417