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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	CHEMBL450852
Molecular formula	C44H44F2N6O2
IUPAC name	4-fluoro-N-[3-[1-[(E)-4-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]but-2-enyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
Molecular weight	726.873
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	7.2
Synonyms	BDBM50271061 4-fluoro-N-(3-{1-[(2E)-4-(4-{5-[(4-fluorobenzene)amido]-1H-indol-3-yl}piperidin-1-yl)but-2-en-1-yl]piperidin-4-yl}-1H-indol-5-yl)benzamide
Inchi Key	BGZWMDBRYUGTKF-OWOJBTEDSA-N
Inchi ID	InChI=1S/C44H44F2N6O2/c45-33-7-3-31(4-8-33)43(53)49-35-11-13-41-37(25-35)39(27-47-41)29-15-21-51(22-16-29)19-1-2-20-52-23-17-30(18-24-52)40-28-48-42-14-12-36(26-38(40)42)50-44(54)32-5-9-34(46)10-6-32/h1-14,25-30,47-48H,15-24H2,(H,49,53)(H,50,54)/b2-1+
PubChem CID	24881550
ChEMBL	CHEMBL450852
IUPHAR	N/A
BindingDB	50271061
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	103.0 nM	PMID18507369	BindingDB,ChEMBL

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