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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	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	CHEMBL314213
Molecular formula	C17H19N5O2
IUPAC name	3-[2-(dimethylamino)ethyl]-N-(3-nitropyridin-2-yl)-1H-indol-5-amine
Molecular weight	325.372
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.5
Synonyms	SCHEMBL7841509 3-(2-Dimethylaminoethyl)-5-(3-nitropyrid-2-ylamino)-1H-indole SZQUYNBBTURBHB-UHFFFAOYSA-N BDBM50039565 L009003 5-[(3-Nitro-2-pyridinyl)amino]-N,N-dimethyl 1H-indole-3-(ethanamine) [3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-(3-nitro-pyridin-2-yl)-amine [ Show all ]
Inchi Key	SZQUYNBBTURBHB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N5O2/c1-21(2)9-7-12-11-19-15-6-5-13(10-14(12)15)20-17-16(22(23)24)4-3-8-18-17/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20)
PubChem CID	10381677
ChEMBL	CHEMBL314213
IUPHAR	N/A
BindingDB	50039565
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	170.0 nM	PMID8057297	BindingDB,ChEMBL
IC50	73.0 nM	PMID8057297	BindingDB,ChEMBL

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