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

NameCHEMBL338740
Molecular formulaC27H22Cl2N6O2
IUPAC name2-(2,6-dichlorophenyl)-5-propyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid
Molecular weight533.413
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP7.0
SynonymsSCHEMBL9527287
L-161274
2-(2,6-Dichloro-phenyl)-5-propyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2H-pyrazole-3-carboxylic acid
BDBM50042550
L009685
[ Show all ]
Inchi KeyAAEJZGVELWMPGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H22Cl2N6O2/c1-2-6-23-20(24(27(36)37)35(32-23)25-21(28)9-5-10-22(25)29)15-16-11-13-17(14-12-16)18-7-3-4-8-19(18)26-30-33-34-31-26/h3-5,7-14H,2,6,15H2,1H3,(H,36,37)(H,30,31,33,34)
PubChem CID10369813
ChEMBLCHEMBL338740
IUPHARN/A
BindingDB82436, 50042550
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
139Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
140Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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