Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL348312
Molecular formulaC25H20ClF3N6O3
IUPAC name2-butyl-5-chloro-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)-1-benzofuran-5-yl]methyl]imidazole-4-carboxylic acid
Molecular weight544.919
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP6.3
SynonymsSCHEMBL9310131
Inchi KeyAIDXCJCBDCITNW-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H20ClF3N6O3/c1-2-3-8-18-30-22(26)20(24(36)37)35(18)12-13-9-10-17-16(11-13)19(25(27,28)29)21(38-17)14-6-4-5-7-15(14)23-31-33-34-32-23/h4-7,9-11H,2-3,8,12H2,1H3,(H,36,37)(H,31,32,33,34)
PubChem CID18950843
ChEMBLCHEMBL348312
IUPHARN/A
BindingDBN/A
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
6127Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359

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