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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 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	CHEMBL277452
Molecular formula	C34H40N6O2
IUPAC name	3-[4-[4-[[4-(5-carbamoyl-1H-indol-3-yl)cyclohex-3-en-1-yl]amino]butylamino]cyclohexen-1-yl]-1H-indole-5-carboxamide
Molecular weight	564.734
Hydrogen bond acceptor	4
Hydrogen bond donor	6
XlogP	3.6
Synonyms	BDBM50285312 3-(4-{4-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]butylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
Inchi Key	COSYVLIRDFEWDN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H40N6O2/c35-33(41)23-7-13-31-27(17-23)29(19-39-31)21-3-9-25(10-4-21)37-15-1-2-16-38-26-11-5-22(6-12-26)30-20-40-32-14-8-24(34(36)42)18-28(30)32/h3,5,7-8,13-14,17-20,25-26,37-40H,1-2,4,6,9-12,15-16H2,(H2,35,41)(H2,36,42)
PubChem CID	44458045
ChEMBL	CHEMBL277452
IUPHAR	N/A
BindingDB	50285312
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	14.5 nM	, Bioorg. Med. Chem. Lett., (1995) 5:2:123	BindingDB,ChEMBL

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