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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	CHEMBL317535
Molecular formula	C15H20N2O2
IUPAC name	ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
Molecular weight	260.337
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	3-(2-Dimethylamino-ethyl)-1H-indole-2-carboxylic acid ethyl ester BDBM50106247 3-[2-(Dimethylamino)ethyl]-1H-indole-2-carboxylic acid ethyl ester
Inchi Key	DHMRDBMKJIHQOM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H20N2O2/c1-4-19-15(18)14-12(9-10-17(2)3)11-7-5-6-8-13(11)16-14/h5-8,16H,4,9-10H2,1-3H3
PubChem CID	11747350
ChEMBL	CHEMBL317535
IUPHAR	N/A
BindingDB	50106247
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	910.0 nM	PMID11689074	BindingDB,ChEMBL

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