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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.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Rattus norvegicus (Rat)
Gene	Htr1b
Synonym	HTR1D2 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled 5-HT1Dbeta 5-HT1DB 5-HT1B serotonin receptor 5-HT1B receptor 5-HT1B 5-HT-1B Serotonin receptor 1B [ Show all ]
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProt	P28564
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3459
IUPHAR	2
DrugBank	N/A

Ligand

Name	BW-723C86
Molecular formula	C16H18N2OS
IUPAC name	1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine
Molecular weight	286.393
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	NCGC00015135-04 BPBio1_000023 GTPL161 NCGC00024972-03 BW-72386 CCG-204312 MLS-0317858 BDBM82472 CHEMBL1255834 NCGC00015135-05 1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine BRD-A17428743-001-01-1 L000152 NSC_5311036 AC1N7TG2 CHEBI:91556 NCGC00015135-03 Biomol-NT_000128 D00ZCU NCGC00024972-02 BRD-A17428743-003-03-3 CAS_5311036 Lopac0_000217 SCHEMBL3298862 alpha-methyl-5-(2-thienylmethoxy)-1H-indole-3-ethanamine [ Show all ]
Inchi Key	ALFGDCNSEBJYSP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
PubChem CID	4284720
ChEMBL	CHEMBL1255834
IUPHAR	161
BindingDB	82472
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	421.1 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	400.1 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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