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GPCR

Name	Alpha-2A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2A
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Adra-2 Adra-2a ADRA2 ADRA2R Adrenergic alpha 2A receptor adrenergic receptor Alpha-2 adrenergic receptor subtype C10 Alpha-2A adrenoceptor Alpha-2A adrenoreceptor [ Show all ]
Disease	Attention deficit hyperactivity disorder Sexual dysfunction Pain
Length	450
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P08913
Protein Data Bank	N/A
GPCR-HGmod model	P08913
3D structure model	This predicted structure model is from GPCR-EXP P08913.
BioLiP	N/A
Therapeutic Target Database	T11448
ChEMBL	CHEMBL1867
IUPHAR	25
DrugBank	BE0000289

Ligand

Name	Pecazine
Molecular formula	C19H22N2S
IUPAC name	10-[(1-methylpiperidin-3-yl)methyl]phenothiazine
Molecular weight	310.459
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.6
Synonyms	CBHCDHNUZWWAPP-UHFFFAOYSA-N DSSTox_RID_81408 mepasin MPMP Pacatal Base Pecazinum STK386548 1'-{[2-methyl-3-(morpholin-4-ylcarbonyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}-1,4'-bipiperidine 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine AI3-50131 BAS 01176610 GTPL9782 Mepazine Base Nothiazine Pecatal Phenothiazine, 10-[(1-methyl-3-piperidyl)methyl]- 10-(1-Methyl-piperidin-3-ylmethyl)-10H-phenothiazine 2975-36-2 (mono-hydrochloride) CAS-60-89-9 DSSTox_CID_26177 LS-105610 MLS006011657 P 391 SCHEMBL149976 10-[(1-Methyl-3-piperidyl)-methyl]-phenothiazin AC1L1LQX CCG-108581 DTXSID2046177 Mepazin NCGC00160480-01 Pacatol Pecazinum [INN-Latin] Tox21_111842 10-((1-Methyl-3-piperidyl)methyl)phenothiazine 10H-Phenothiazine, 10-((1-methyl-3-piperidinyl)methyl)- AKOS000280691 BDBM50177661 CHEMBL395110 III-2318 Meprazine Oprea1_067080 Pecazina Probes1_000237 10-(1-Methylpiperidyl-3-methyl)phenothiazine 60-89-9 CBDivE_007551 DSSTox_GSID_46177 MCULE-4399173403 MolPort-001-727-944 Pacatal Pecazine [INN:BAN] SMR004703409 (N-Methyl-3-piperidyl)methylphenothiazine 10-[(1-Methyl-3-piperidyl)methyl]phenothiazine AC1Q7G4S CHEBI:135324 EINECS 200-490-8 MEPAZINE NCIOpen2_008134 Pakatal Phenothiazine, 10-((1-methyl-3-piperidyl)methyl)- US9504692, Mepezine 10-(1-Methyl-3-piperidyl)methyl phenothiazine 10H-Phenothiazine, 10-[(1-methyl-3-piperidinyl)methyl]- AKOS021820849 BRD-A82772293-001-01-6 CTK1A4018 Lacumin Mesapin Oprea1_208564 Pecazina [INN-Spanish] Probes2_000278 10-[(1-Methyl-3-piperidinyl)methyl]-10H-phenothiazine # AB00275848-07 [ Show all ]
Inchi Key	CBHCDHNUZWWAPP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3
PubChem CID	6075
ChEMBL	CHEMBL395110
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1456.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	546.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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