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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	(2s)-2-amino-4-sulfinobutanoic acid
Molecular formula	C4H9NO4S
IUPAC name	(2S)-2-amino-4-sulfinobutanoic acid
Molecular weight	167.179
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	-3.8
Synonyms	SCHEMBL10135851 BDBM86201 L-Homocysteinesulfinic acid 2686-70-6 CHEMBL1516176 NCGC00163274-02 AC1Q5QML FT-0639107 PDSP2_001256 ZINC25720432 Butanoic acid, 2-amino-4-sulfino-, (2S)- L-Homocysteinesulphinic Acid CTK4F8661 PDSP1_001272 PDSP2_001260 AKOS030568392 L-homocysteine sulfinic acid Butanoic acid,2-amino-4-sulfino-, (2S)- NCGC00163274-01 AC1L2PR4 FT-0634441 PDSP1_001276 [ Show all ]
Inchi Key	PDNJLMZEGXHSCU-VKHMYHEASA-N
Inchi ID	InChI=1S/C4H9NO4S/c5-3(4(6)7)1-2-10(8)9/h3H,1-2,5H2,(H,6,7)(H,8,9)/t3-/m0/s1
PubChem CID	75896
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86201
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	<10000.0 nM	PMID12649361	BindingDB

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