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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	Reboxetine
Molecular formula	C19H23NO3
IUPAC name	(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
Molecular weight	313.397
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	DB12395 Morpholine, 2-((S)-(2-ethoxyphenoxy)phenylmethyl)-, (2S)- Tocris-1982 (2S)-2-[(S)-(2-ETHOXYPHENOXY)BENZYL]MORPHOLINE 98819-76-2 CHEBI:125535 D01NJT Esreboxetine (USAN/INN) Norebox (TN) Reboxitine Vestra (+-)-(2R)-2-((alphaR)-alpha-(o-Ethoxyphenoxy)benzyl)morpholine (S,S)-reboxetine AKOS027393802 Davedax L8S50ZY490 Prolift Solvex (2S)-2-[(S)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine 819S762 BDBM35226 Edronax (TN) NCGC00025335-01 Reboxetine (INN) UNII-947S0YZ36I component CBQGYUDMJHNJBX-OALUTQOASA-N (2S)-2-[(S)-2-ethoxyphenoxy(phenyl)methyl]morpholine AC1L2442 CHEMBL180101 D09340 Esreboxetine [USAN:INN] PNU 165442g S-Reboxetine Vestra (TN) (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine 2-((2-ethoxyphenoxy)benzyl)morpholine methanesulfonate AN-4973 Davedax (TN) LS-178388 Prolift (TN) Solvex (TN) (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine 98769-81-4 BRD-K32814891-001-01-1 CTK5I0084 Esreboxetine Norebox Reboxetine [INN] UNII-L8S50ZY490 (+)-(2S)-2-((S)-(2-Ethoxyphenoxy)phenylmethyl)morpholine (S,S)-( )-Reboxetine AJ-08295 D0N8FQ GTPL4808 PNU-165442G SCHEMBL34534 ZINC6923 (2R)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine API0006066 [ Show all ]
Inchi Key	CBQGYUDMJHNJBX-OALUTQOASA-N
Inchi ID	InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1
PubChem CID	65856
ChEMBL	N/A
IUPHAR	N/A
BindingDB	35226
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	PMID11454918	BindingDB

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