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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.
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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	CHEMBL91605
Molecular formula	C25H34FN7O2
IUPAC name	4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,1,3-tetramethylpyrazolo[3,4-b]pyridine-5-carboxamide
Molecular weight	483.592
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.3
Synonyms	BDBM50408197
Inchi Key	JEHYIUUKVDHKND-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H34FN7O2/c1-17-22-23(19(25(34)30(2)3)16-28-24(22)31(4)29-17)27-9-6-10-32-11-13-33(14-12-32)20-8-7-18(26)15-21(20)35-5/h7-8,15-16H,6,9-14H2,1-5H3,(H,27,28)
PubChem CID	10624682
ChEMBL	CHEMBL91605
IUPHAR	N/A
BindingDB	50408197
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	316.0 nM	PMID9276013	BindingDB
Log Ki	6.5 uM	PMID9276013	ChEMBL

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