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

NameCHEMBL1774900
Molecular formulaC26H16F6O3
IUPAC name4-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
Molecular weight490.401
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP7.1
SynonymsBDBM50343885
SCHEMBL2930702
4-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-7-[4-(trifluoromethyl)phenyl]-2-naphthoic acid
UTXQUOONYQJDAF-UHFFFAOYSA-N
4-(4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl)-7-(4-(trifluoromethyl)phenyl)-2-naphthoic acid
Inchi KeyUTXQUOONYQJDAF-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H16F6O3/c27-25(28,29)20-8-5-14(6-9-20)17-7-10-21-18(11-17)12-19(24(34)35)13-22(21)15-1-3-16(4-2-15)23(33)26(30,31)32/h1-13,23,33H,(H,34,35)
PubChem CID54586809
ChEMBLCHEMBL1774900
IUPHARN/A
BindingDB50343885
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
345528P2Y purinoceptor 14Q9ESG6P2ry14Mus musculus (Mouse)338

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