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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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GPCR

Name	Melatonin receptor type 1A
Species	Rattus norvegicus (Rat)
Gene	Mtnr1a
Synonym	Mel-1A-R mel1a receptor MelR MT1 receptor
Disease	N/A for non-human GPCRs
Length	156
Amino acid sequence	CYICHSLKYDRIYSNKNSLCYVFLIWTLTLIAIMPNLQTGTLQYDPRIYSCTFTQSVSSAYTIALVVFHFVVPMIIVTFCYLRIWILVLQVRRRVKPDSKPKLKPQDFRNFVTMFVVFVLFALCWAPLNFIGLIVASDPATMAPRIPEWLFVASYY
UniProt	P49218
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	N/A
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	abt-702
Molecular formula	C22H19BrN6O
IUPAC name	5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine
Molecular weight	463.339
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.4
Synonyms	CHEBI:104129 NCGC00092381-03 4-Amino-5-(3-bromophenyl)-7-(6-morpholino-pyridin-3-yl)pyrido(2,3-d)pyrimidine ABT702 D08LUT SMP2_000264 5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-ylamine BDBM50094703 MolPort-035-936-400 Abt 702 CHEMBL66089 Pyrido(2,3-d)pyrimidine, 4-amino-5-(3-bromophenyl)-7-(6-morpholino-pyridin-3-yl)- UNII-2P206WS5B3 5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine AC1L1CN5 GTPL5131 5-(3-bromophenyl)-7-[6-(morpholin-4-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine BRD-K36021395-300-01-6 NCGC00092381-02 2P206WS5B3 CTK5I8409 SCHEMBL1914142 ZINC21288919 5-(3-bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-amine AKOS030589605 LS-134028 [ Show all ]
Inchi Key	RQCXKDWOCUJWQZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
PubChem CID	1973
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50094703
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	<10000.0 nM	PMID11082453	BindingDB

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