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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	Adenosine receptor A1
Species	Bos taurus (Bovine)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
UniProt	P28190
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	CHEMBL4975
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL97778
Molecular formula	C15H11ClN2
IUPAC name	4-chloro-7-methyl-2-phenyl-1,8-naphthyridine
Molecular weight	254.717
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.1
Synonyms	4-chloro-7-methyl-2-phenyl-1,8-naphthyridine ZINC13579501 BDBM50090689 D09KUY 4-Chloro-7-methyl-2-phenyl-[1,8]naphthyridine 2-Phenyl-4-chloro-7-methyl-1,8-naphthyridine SCHEMBL1536334 [ Show all ]
Inchi Key	CMSOCFLZPHQUAD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H11ClN2/c1-10-7-8-12-13(16)9-14(18-15(12)17-10)11-5-3-2-4-6-11/h2-9H,1H3
PubChem CID	12431921
ChEMBL	CHEMBL97778
IUPHAR	N/A
BindingDB	50090689
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	1000.0 nM	PMID10956189, PMID15163184	BindingDB,ChEMBL

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