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	CHEMBL301559
Molecular formula	C16H25NO
IUPAC name	(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
Molecular weight	247.382
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.1
Synonyms	R(+)-7-Hydroxy(dipropylamino)tetralin hydrobromide (R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-2-ol.HCl CCG-204658 NCGC00015494-01 SCHEMBL7568447 (2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-2-ol 7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-2-ol CTK5E9982 NCGC00024742-01 PDSP2_001695 ZINC3870310 (R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol AJ-46330 Lopac0_000569 R(+)-7-HYDROXY-2-DIPROPYLAMINO TETRALIN& 2-Naphthalenol,7-(dipropylamino)-5,6,7,8-tetrahydro-, (7R)- NCGC00015494-02 NCGC00162190-02 Tocris-0706 (7-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-ammonium(R(+)7OH-DPAT) 82730-72-1 Lopac-H-168 R(+)-2-Dipropylamino-7-hydroxy-1,2,3,4-tetrahydronaphthalene hydrobromide (R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen-2-ol BDBM50054067 MFCD00153809 r-(+)-7-hydroxy-2-(N,N-di-n-propylamino)tetralin (+)-7-OH-DPAT NCGC00015494-03 PDSP1_001712 UNII-RR7D75YDF4 component BLYMJBIZMIGWFK-OAHLLOKOSA-N (7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol AC1O7G3L Lopac-H-8653 [ Show all ]
Inchi Key	BLYMJBIZMIGWFK-OAHLLOKOSA-N
Inchi ID	InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1
PubChem CID	6603867
ChEMBL	CHEMBL301559
IUPHAR	N/A
BindingDB	50054067
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
27118	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
522376	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
27122	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
27115	D(2) dopamine receptor	P20288	DRD2	Bos taurus (Bovine)	444
27117	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
27120	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
27116	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
27119	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467
27121	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460

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