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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	CHEMBL137485
Molecular formula	C15H20N2O
IUPAC name	5-methoxy-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
Molecular weight	244.338
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.9
Synonyms	CP-108509 5-Methoxy-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole ZINC3779247 (r)-(+)-3-(N-methylpyrrolidin-2-ylmethyl)-5-methoxyindole MKEGUJPBCIXABO-GFCCVEGCSA-N (R)-5-Methoxy-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole SCHEMBL5819875 BDBM50081704 [ Show all ]
Inchi Key	MKEGUJPBCIXABO-GFCCVEGCSA-N
Inchi ID	InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m1/s1
PubChem CID	9881324
ChEMBL	CHEMBL137485
IUPHAR	N/A
BindingDB	50081704
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	830.0 nM	PMID1447752	BindingDB,ChEMBL

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