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	CHEMBL2181549
Molecular formula	C20H20O3
IUPAC name	3-[(2-hydroxyphenyl)methyl]-8-methyl-5-propan-2-ylchromen-2-one
Molecular weight	308.377
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.0
Synonyms	BDBM50398212
Inchi Key	LPJIGZWNPQFFEE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20O3/c1-12(2)16-9-8-13(3)19-17(16)11-15(20(22)23-19)10-14-6-4-5-7-18(14)21/h4-9,11-12,21H,10H2,1-3H3
PubChem CID	70677671
ChEMBL	CHEMBL2181549
IUPHAR	N/A
BindingDB	50398212
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
193142	Cannabinoid receptor 1	P21554	CNR1	Homo sapiens (Human)	472
193140	Cannabinoid receptor 2	P34972	CNR2	Homo sapiens (Human)	360
193143	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
193141	N-arachidonyl glycine receptor	Q14330	GPR18	Homo sapiens (Human)	331

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