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 1B
Species	Rattus norvegicus (Rat)
Gene	Htr1b
Synonym	HTR1D2 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled 5-HT1Dbeta 5-HT1DB 5-HT1B serotonin receptor 5-HT1B receptor 5-HT1B 5-HT-1B Serotonin receptor 1B [ Show all ]
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProt	P28564
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3459
IUPHAR	2
DrugBank	N/A

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	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- 122341-76-8 8-HYDROXY-2-(DI-n-PROPYLAMINO)TETRALIN 8OH-DPAT Biomol-NT_000095 cid_1220 J-007140 NCGC00015493-06 S(-)-8-Hydroxy-DPAT hydrobromide (+)-8-Hydroxy-2-(dipropylamino)tetralin AC1Q7AL7 BRD-A48015106-004-03-0 D0O3GF LS-94994 NCGC00024986-02 S8447 (+/-)-8-Hydroxy-DPAT hydrobromide 1-Naphthalenol,7-(dipropylamino)-5,6,7,8-tetrahydro- 7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol 8-OH-DPAT,(-) BCP25681 GTPL7 NCGC00015493-04 Ro-31-8220 in solution [3H]-8-OH-DPAT 142272-99-9 8-Hydroxy-DPAT AC1L1AZN BPBio1_001354 CS-0043224 L000086 NCGC00024635-02 S(-)-8-HYDROXY-DPAT HYDROBROMIDE PARTIAL 5-HT1A SECROT (+-)-8-OH-DPAT 5,6,7,8-tetrahydro-7-(dipropylamino)-1-naphthalenol 8-OH-DPAT (8-Hydroxy-DPAT) AKOS030627213 CCG-204665 dl-8-Hydroxy-2-(dipropylamino)tetralin MFCD00153811 PDSP1_000777 SCHEMBL496783 105558-30-3 78950-78-4 80300-08-9 BDBM21393 CHEMBL56 HY-112061 NCGC00015493-05 RT-015429 [3H]8-OH-DPAT 8-hydroxy-n,n-dipropylaminotetralin AC1Q2XPY BRD-A48015106-001-01-0 CTK5E6257 Lopac0_000576 NCGC00024635-03 S(-)-8-OH-DPAT HBr (+/-)-8-HYDROXY-2-DIPROPYL-AMINOTETRALIN [ 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
IC50	3801.89 nM	PMID3373482	ChEMBL
IC50	3802.0 nM	PMID3373482	BindingDB
Ki	<10000.0 nM	, PMID2965244, Bioorg. Med. Chem. Lett., (1993) 3:10:2035, PMID1738111	BindingDB,ChEMBL
Ki	2570.0 nM	PMID8289183	BindingDB,ChEMBL
Ki	7244.36 nM	PMID8584042	BindingDB
Ki	63000.0 nM	PMID3543362	BindingDB,ChEMBL

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