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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	Dipropyl-5-CT
Molecular formula	C17H25N3O
IUPAC name	3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide
Molecular weight	287.407
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.2
Synonyms	NCGC00162145-02 ZINC2539820 Biomol-NT_000159 D0D3PZ N,N-Dipropyl-5-carboxamidotryptamine PDSP1_001262 3-[2-(dipropylamino)ethyl]-1H-indole-5-carboxamide CAS_156314 DP5CT NCGC00015310-01 PDSP2_001599 AC1L4FYC Lopac-D-132 NCGC00015310-04 NN-DIPROP-5-CT BPBio1_000662 N,N-Dipropyl-5-carboxamidotryptamine maleate PDSP1_001615 74885-25-9 CCG-204501 GTPL122 NCGC00015310-02 SCHEMBL8891095 BDBM81789 CHEMBL1332062 Lopac0_000408 NCGC00162145-01 NSC_156314 1H-Indole-5-carboxamide, 3-(2-(dipropylamino)ethyl)- BRD-K32645441-001-01-4 DP-5-CT N,N-Dipropylcarboxamidotryptamine PDSP2_001246 CHEBI:92566 L000940 NCGC00015310-03 [ Show all ]
Inchi Key	DPXOFRGRKPFZOD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H25N3O/c1-3-8-20(9-4-2)10-7-14-12-19-16-6-5-13(17(18)21)11-15(14)16/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H2,18,21)
PubChem CID	156314
ChEMBL	CHEMBL1332062
IUPHAR	122
BindingDB	81789
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	13.0 nM	PMID1565658	PDSP,BindingDB
Ki	39.8107 nM	PMID1565658	IUPHAR
Ki	41.68 nM	PMID7984267	PDSP,BindingDB

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