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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL297660
Molecular formula	C17H24N2
IUPAC name	5-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
Molecular weight	256.393
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	3.6
Synonyms	L018015 3-(2-Pyrrolizinoethyl)-5-isopropyl-1H-indole SCHEMBL8507362 BDBM50090518 D0K9MT 5-Isopropyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole [ Show all ]
Inchi Key	BCHGFZYQLYUXBO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H24N2/c1-13(2)14-5-6-17-16(11-14)15(12-18-17)7-10-19-8-3-4-9-19/h5-6,11-13,18H,3-4,7-10H2,1-2H3
PubChem CID	10912152
ChEMBL	CHEMBL297660
IUPHAR	N/A
BindingDB	50090518
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	472.0 nM	PMID10937729	ChEMBL
Ki	472.0 nM	PMID10937729	BindingDB

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