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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 A2a
Species	Rattus norvegicus (Rat)
Gene	Adora2a
Synonym	A2-AR A2A receptor adenosine receptor A2a RDC8
Disease	N/A for non-human GPCRs
Length	410
Amino acid sequence	MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
UniProt	P30543
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	CHEMBL302
IUPHAR	19
DrugBank	N/A

Ligand

Name	CHEMBL338501
Molecular formula	C21H14Cl2N4
IUPAC name	3,4-dichloro-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide
Molecular weight	393.271
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.0
Synonyms	118112-06-4 3,4-dichloro-N-[3-(2-pyridyl)-1-isoquinolyl]benzamidine [(3,4-Dichlorophenyl)iminomethyl](3-(2-pyridyl)isoquinolyl)amine BDBM50067087 3,4-dichloro-N'-(3-pyridin-2-ylisoquinolin-1-yl)benzenecarboximidamide VUF-8471 3,4-Dichloro-N-(3-pyridin-2-yl-isoquinolin-1-yl)-benzamidine VUF8471 AC1LA7GQ [ Show all ]
Inchi Key	AATUFSKEEYLIOJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H14Cl2N4/c22-16-9-8-14(11-17(16)23)20(24)27-21-15-6-2-1-5-13(15)12-19(26-21)18-7-3-4-10-25-18/h1-12H,(H2,24,26,27)
PubChem CID	463104
ChEMBL	CHEMBL338501
IUPHAR	N/A
BindingDB	50067087
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Displacement	2.0 %	PMID9767636	ChEMBL

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