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	CHEMBL2177259
Molecular formula	C22H23ClO3
IUPAC name	3-[(2-chlorophenyl)methyl]-5-methoxy-7-pentylchromen-2-one
Molecular weight	370.873
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	6.9
Synonyms	BDBM50398227
Inchi Key	PSWHWCGBEPXOFQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23ClO3/c1-3-4-5-8-15-11-20(25-2)18-14-17(22(24)26-21(18)12-15)13-16-9-6-7-10-19(16)23/h6-7,9-12,14H,3-5,8,13H2,1-2H3
PubChem CID	70677955
ChEMBL	CHEMBL2177259
IUPHAR	N/A
BindingDB	50398227
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
268057	Cannabinoid receptor 1	P21554	CNR1	Homo sapiens (Human)	472
268060	Cannabinoid receptor 2	P34972	CNR2	Homo sapiens (Human)	360
268058	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
268059	N-arachidonyl glycine receptor	Q14330	GPR18	Homo sapiens (Human)	331

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