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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	CHEMBL2432039
Molecular formula	C20H23N
IUPAC name	(8S)-N-(cuban-1-ylmethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
Molecular weight	277.411
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	2.7
Synonyms	BDBM50440988
Inchi Key	CHZUEGVOEFMIJH-ZKRSMWHSSA-N
Inchi ID	InChI=1S/C20H23N/c1-4-5-2-6-8(4)10-7(1)9(5)19(11(6)10)21-3-20-16-13-12-14(16)18(20)15(12)17(13)20/h4-19,21H,1-3H2/t4?,5?,6?,7?,8?,9?,10?,11?,12?,13?,14?,15?,16?,17?,18?,19-,20?/m0/s1
PubChem CID	73355415
ChEMBL	CHEMBL2432039
IUPHAR	N/A
BindingDB	50440988
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>50.0 %	PMID23981939	ChEMBL

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