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:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	5-hydroxytryptamine receptor 1E
Species	Homo sapiens (Human)
Gene	HTR1E
Synonym	5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled 5-HT1E_alpha 5-ht1e receptor 5-HT1E 5-HT-1E S31 Serotonin receptor 1E [ Show all ]
Disease	N/A
Length	365
Amino acid sequence	MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT
UniProt	P28566
Protein Data Bank	N/A
GPCR-HGmod model	P28566
3D structure model	This predicted structure model is from GPCR-EXP P28566.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2182
IUPHAR	4
DrugBank	BE0000476

Ligand

Name	8-OH-Dpat
Molecular formula	C16H25NO
IUPAC name	7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
Molecular weight	247.382
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	4.1
Synonyms	AC1L1AZN BPBio1_001354 CS-0043224 L000086 NCGC00024635-02 S(-)-8-HYDROXY-DPAT HYDROBROMIDE PARTIAL 5-HT1A SECROT (+-)-8-OH-DPAT 142272-99-9 8-Hydroxy-DPAT 8-OH-DPAT (8-Hydroxy-DPAT) AKOS030627213 CCG-204665 dl-8-Hydroxy-2-(dipropylamino)tetralin MFCD00153811 PDSP1_000777 SCHEMBL496783 5,6,7,8-tetrahydro-7-(dipropylamino)-1-naphthalenol 80300-08-9 BDBM21393 CHEMBL56 HY-112061 NCGC00015493-05 RT-015429 [3H]8-OH-DPAT 105558-30-3 78950-78-4 AC1Q2XPY BRD-A48015106-001-01-0 CTK5E6257 Lopac0_000576 NCGC00024635-03 S(-)-8-OH-DPAT HBr (+/-)-8-HYDROXY-2-DIPROPYL-AMINOTETRALIN 8-hydroxy-n,n-dipropylaminotetralin 8-OH-DPAT,(+) ASXGJMSKWNBENU-UHFFFAOYSA-N CHEBI:73364 GTPL31 MolPort-044-830-676 PDSP2_000765 SR-01000075571-7 1-Naphthalenol, 7-(dipropylamino)-5,6,7,8-tetrahydro- 8OH-DPAT Biomol-NT_000095 cid_1220 J-007140 NCGC00015493-06 S(-)-8-Hydroxy-DPAT hydrobromide (+)-8-Hydroxy-2-(dipropylamino)tetralin 122341-76-8 8-HYDROXY-2-(DI-n-PROPYLAMINO)TETRALIN AC1Q7AL7 BRD-A48015106-004-03-0 D0O3GF LS-94994 NCGC00024986-02 S8447 (+/-)-8-Hydroxy-DPAT hydrobromide 8-OH-DPAT,(-) BCP25681 GTPL7 NCGC00015493-04 Ro-31-8220 in solution [3H]-8-OH-DPAT 1-Naphthalenol,7-(dipropylamino)-5,6,7,8-tetrahydro- 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol [ Show all ]
Inchi Key	ASXGJMSKWNBENU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
PubChem CID	1220
ChEMBL	CHEMBL56
IUPHAR	7, 31
BindingDB	21393
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	826.0 nM	PMID2664084	PDSP,BindingDB
Ki	3162.28 nM	PMID8380639, PMID14744596	IUPHAR
Ki	3333.0 nM	PMID1513320	PDSP,BindingDB

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