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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

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	HY-112061 NCGC00015493-05 RT-015429 [3H]8-OH-DPAT 105558-30-3 78950-78-4 80300-08-9 BDBM21393 CHEMBL56 CTK5E6257 Lopac0_000576 NCGC00024635-03 S(-)-8-OH-DPAT HBr (+/-)-8-HYDROXY-2-DIPROPYL-AMINOTETRALIN 8-hydroxy-n,n-dipropylaminotetralin AC1Q2XPY BRD-A48015106-001-01-0 GTPL31 MolPort-044-830-676 PDSP2_000765 SR-01000075571-7 1-Naphthalenol, 7-(dipropylamino)-5,6,7,8-tetrahydro- 8-OH-DPAT,(+) ASXGJMSKWNBENU-UHFFFAOYSA-N CHEBI:73364 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 8OH-DPAT Biomol-NT_000095 D0O3GF LS-94994 NCGC00024986-02 S8447 (+/-)-8-Hydroxy-DPAT hydrobromide AC1Q7AL7 BRD-A48015106-004-03-0 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 8-OH-DPAT,(-) BCP25681 CS-0043224 L000086 NCGC00024635-02 S(-)-8-HYDROXY-DPAT HYDROBROMIDE PARTIAL 5-HT1A SECROT (+-)-8-OH-DPAT 142272-99-9 8-Hydroxy-DPAT AC1L1AZN BPBio1_001354 dl-8-Hydroxy-2-(dipropylamino)tetralin MFCD00153811 PDSP1_000777 SCHEMBL496783 5,6,7,8-tetrahydro-7-(dipropylamino)-1-naphthalenol 8-OH-DPAT (8-Hydroxy-DPAT) AKOS030627213 CCG-204665 [ 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
EC50	260.0 nM	PMID9871775	BindingDB,ChEMBL
IC50	630.957 nM	PMID9303569	IUPHAR
Kd	1.25893 nM	PMID10431754	IUPHAR
Ki	38.0 nM	PMID1315531	PDSP,BindingDB
Ki	38.01 nM	PMID7984267	PDSP,BindingDB
Ki	120.0 nM	PMID1565658	PDSP,BindingDB
Ki	257.03 nM	PMID7984267	PDSP,BindingDB
Ki	559.0 nM	PMID9871775	BindingDB,ChEMBL
Ki	630.95 nM	PMID7984267	PDSP,BindingDB
Ki	638.0 nM	PMID7783152	BindingDB,ChEMBL
Ki	700.0 nM	PMID9303569	PDSP,BindingDB
Ki	710.0 nM	PMID9303569	PDSP,BindingDB
Ki	2570.39 nM	PMID7984267	PDSP,BindingDB
Ki	2818.38 nM	PMID7984267	PDSP,BindingDB

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