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	CHEMBL32136
Molecular formula	C27H16BrNO4
IUPAC name	6-bromo-4-oxo-2-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]chromene-8-carboxylic acid
Molecular weight	498.332
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.0
Synonyms	2-[3-[2-(2-Quinolyl)ethenyl]phenyl]-4-oxo-6-bromo-4H-1-benzopyran-8-carboxylic acid 6-Bromo-4-oxo-2-[3-((E)-2-quinolin-2-yl-vinyl)-phenyl]-4H-chromene-8-carboxylic acid BDBM50064068 SCHEMBL6173356 6-bromo-4-oxo-2-(3-(2-(quinolin-2-yl)vinyl)phenyl)-4H-chromene-8-carboxylic acid
Inchi Key	GRXPSBPMPHAFEI-CSKARUKUSA-N
Inchi ID	InChI=1S/C27H16BrNO4/c28-19-13-21-24(30)15-25(33-26(21)22(14-19)27(31)32)18-6-3-4-16(12-18)8-10-20-11-9-17-5-1-2-7-23(17)29-20/h1-15H,(H,31,32)/b10-8+
PubChem CID	10767627
ChEMBL	CHEMBL32136
IUPHAR	N/A
BindingDB	50064068
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
103875	Cysteinyl leukotriene receptor 1	Q9Y271	CYSLTR1	Homo sapiens (Human)	337
103876	Cysteinyl leukotriene receptor 1	Q2NNR5	CYSLTR1	Cavia porcellus (Guinea pig)	340

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