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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 1A
Species	Mus musculus (Mouse)
Gene	Htr1a
Synonym	5-HT-1A Gpcr18 ADRBRL1 ADRB2RL1 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A receptor 5-HT1A Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	421
Amino acid sequence	MDMFSLGQGNNTTTSLEPFGTGGNDTGLSNVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSNPNECTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKKGAGTSFGTSSAPPPKKSLNGQPGSGDCRRSAENRAVGTPCANGAVRQGEDDATLEVIEVHRVGNSKGHLPLPSESGATSYVPACLERKNERTAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPELLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCR
UniProt	Q64264
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	CHEMBL3737
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL141319
Molecular formula	C23H26N6OS
IUPAC name	N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-benzimidazole-4-carboxamide
Molecular weight	434.562
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.8
Synonyms	BDBM50054712 N-[4-[4-(1,2-Benzisothiazol-3-yl)piperazino]butyl]-1H-benzimidazole-4-carboxamide 3H-Benzoimidazole-4-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
Inchi Key	VFYDENPYYCCZII-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N6OS/c30-23(18-7-5-8-19-21(18)26-16-25-19)24-10-3-4-11-28-12-14-29(15-13-28)22-17-6-1-2-9-20(17)31-27-22/h1-2,5-9,16H,3-4,10-15H2,(H,24,30)(H,25,26)
PubChem CID	10646494
ChEMBL	CHEMBL141319
IUPHAR	N/A
BindingDB	50054712
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	4.2 nM	PMID8941382	BindingDB,ChEMBL

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