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	R-dimethindene
Molecular formula	C20H24N2
IUPAC name	N,N-dimethyl-2-[3-[(1R)-1-pyridin-2-ylethyl]-1H-inden-2-yl]ethanamine
Molecular weight	292.426
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	2.7
Synonyms	(?)-Dimethindene C9Z23T6963 ZINC1482162 135821-89-5 D0H8XV UNII-661FH77Z3P component MVMQESMQSYOVGV-HNNXBMFYSA-N (R)-(-)-Dimethindene 1H-Indene-2-ethanamine, N,N-dimethyl-3-((1R)-1-(2-pyridinyl)ethyl)- Dimetindene, (R)- (-)-Dimethindene BDBM50297307 UNII-C9Z23T6963 (R)-Dimethindene CHEMBL564226 1H-Indene-2-ethanamine, N,N-dimethyl-3-(1-(2-pyridinyl)ethyl)-, (R)- [ Show all ]
Inchi Key	MVMQESMQSYOVGV-HNNXBMFYSA-N
Inchi ID	InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3/t15-/m0/s1
PubChem CID	12963076
ChEMBL	CHEMBL564226
IUPHAR	N/A
BindingDB	50297307
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
215168	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
215164	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
215165	Muscarinic acetylcholine receptor DM1	P16395	mAChR-A	Drosophila melanogaster (Fruit fly)	805
215166	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
215169	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
215171	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
215167	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479
215170	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532

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