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GLASS

You can:

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 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
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	CHEMBL273
IUPHAR	1
DrugBank	N/A

Ligand

Name	CHEMBL177031
Molecular formula	C23H28ClN3O
IUPAC name	4-chloro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
Molecular weight	397.947
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.0
Synonyms	L010271 4-Chloro-N-{2-[4-(1,2,3,4-tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-ethyl}-benzamide BDBM50056945
Inchi Key	FGNDDXTVXSKQJK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28ClN3O/c24-20-10-8-19(9-11-20)23(28)25-12-13-26-14-16-27(17-15-26)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,25,28)
PubChem CID	10046389
ChEMBL	CHEMBL177031
IUPHAR	N/A
BindingDB	50056945
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	38.0 nM	PMID9083484	ChEMBL
IC50	75.0 nM	PMID9083484	BindingDB,ChEMBL
IC50	1500.0 nM	PMID9083484	BindingDB,ChEMBL
Inhibition	86.0 %	PMID9083484	ChEMBL
Ki	4.0 nM	PMID9083484	BindingDB
Ki	4.0 nM	PMID9083484	ChEMBL
Ki	10.0 nM	PMID9083484	ChEMBL
Ki	210.0 nM	PMID9083484	ChEMBL

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