Zhang Lab

National University of Singapore

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

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL137801
Molecular formula	C23H22FNO3
IUPAC name	6-[6-(4-fluorophenyl)-4-phenylpyridin-2-yl]oxyhexanoic acid
Molecular weight	379.431
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.1
Synonyms	DTXSID60438744 6-[[4-Phenyl-6-(4-fluorophenyl)pyridin-2-yl]oxy]hexanoic acid BDBM50001665 6-[(6-(4-fluorophenyl)-4-phenyl-2-pyridinyl)oxy]-hexanoic acid Hexanoic acid, 6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]- ACMC-20n0ub BGDZTYGXZZTYSF-UHFFFAOYSA-N 141747-54-8 CTK0B6613 6-[6-(4-Fluoro-phenyl)-4-phenyl-pyridin-2-yloxy]-hexanoic acid SCHEMBL6760753 AKOS030603412 [ Show all ]
Inchi Key	BGDZTYGXZZTYSF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22FNO3/c24-20-12-10-18(11-13-20)21-15-19(17-7-3-1-4-8-17)16-22(25-21)28-14-6-2-5-9-23(26)27/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,26,27)
PubChem CID	10362331
ChEMBL	CHEMBL137801
IUPHAR	N/A
BindingDB	50001665
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
22891	Leukotriene B4 receptor 1	Q15722	LTB4R	Homo sapiens (Human)	352

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