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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	Alpha-2A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra2a
Synonym	CA2-47 alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2D adrenergic receptor Alpha-2AAR Alpha-2A adrenoreceptor Alpha-2A adrenoceptor adrenergic receptor Adrenergic alpha 2A receptor ADRA2R ADRA2 Adra-2a Adra-2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	450
Amino acid sequence	MGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGGQQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACSAPPGGADRRPNGLGPERGAGTAGAEAEPLPTQLNGAPGEPAPTRPRDGDALDLEESSSSEHAERPQGPGKPERGPRAKGKTKASQVKPGDSLPRRGPGAAGPGASGSGQGEERAGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPYQLFNFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P22909
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	CHEMBL327
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL597601
Molecular formula	C20H21ClN4
IUPAC name	1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenylpiperazine
Molecular weight	352.866
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.9
Synonyms	DTXSID10469649 591774-47-9 Piperazine, 1-[[1-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-phenyl- 1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-phenylpiperazine L022513 BDBM50308002 SCHEMBL6014220 CTK1D9592 LASSBio-579 [ Show all ]
Inchi Key	MHJWMIITIMUUKU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21ClN4/c21-18-6-8-20(9-7-18)25-16-17(14-22-25)15-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
PubChem CID	11624518
ChEMBL	CHEMBL597601
IUPHAR	N/A
BindingDB	50308002
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	2490.0 nM	PMID23353740	BindingDB,ChEMBL

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