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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	L-Homocysteic acid
Molecular formula	C4H9NO5S
IUPAC name	(2S)-2-amino-4-sulfobutanoic acid
Molecular weight	183.178
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	-3.6
Synonyms	(S)-2-amino-4-sulfobutanoic acid C16511 FT-0637148 PDSP1_001269 CHEBI:80543 L-2-Amino-4-sulfobutyrate UNII-HYA2G5T79L component VBOQYPQEPHKASR-VKHMYHEASA-N (2S)-2-Amino-4-sulfobutanoic acid BDBM50220147 DB-042945 ZINC2567965 (S)-2-amino-4-sulfobutyric acid CC-29946 H-2740 PDSP2_001253 AC1L42RY L-2-Amino-4-sulfobutyric acid UNII-YW13F86W9W (2S)-2-amino-4-sulfobutyric acid C-24823 FCH838969 MFCD00066018 14857-77-3 CHEBI:132223 KB-53220 SCHEMBL157695 AJ-41531 CHEMBL230951 L-HOMOCYSTEATE YW13F86W9W [ Show all ]
Inchi Key	VBOQYPQEPHKASR-VKHMYHEASA-N
Inchi ID	InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
PubChem CID	177491
ChEMBL	CHEMBL230951
IUPHAR	N/A
BindingDB	50220147
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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