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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	haloprogin
Molecular formula	C9H4Cl3IO
IUPAC name	1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)benzene
Molecular weight	361.384
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	4.6
Synonyms	Haloprogina Halotex (TN) KBioSS_002369 1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)benzene NCGC00181134-01 2,4,5-Trichlorophenyl-gamma-iodopropargyl ether Prestwick_232 AC1L1G7Q BDBM50194601 CAS-777-11-7 D06ZAY Ether, 3-iodo-2-propynyl 2,4,5-trichlorophenyl Haloprogine [INN-French] IDI1_000762 M-1028 (Meiji) 1,2,4-trichloro-5-[(3-iodoprop-2-yn-1-yl)oxy]benzene NSC 100071 2,5-Trichlorophenyl iodopropargyl ether Tox21_112741 AKOS030627167 Benzene,1,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy] DSSTox_CID_26865 Haloprogen Halotex KBio2_004933 (3-Iod-2-propinyl)-(2,4,5-trichlorphenyl)ether Mycilan 2,4,5-Trichlorophenyl gamma-iodopropargil ether Polik 777-11-7 Z3201 API0008981 BRN 1976771 CTETYYAZBPJBHE-UHFFFAOYSA-N DTXSID9046865 Haloprogin [USAN:INN:JAN] Haloprogina [INN-Spanish] HMS3713A06 LS-67855 1,2,4-trichloro-5-(3-iodoprop-2-ynyloxy)benzene NCGC00181134-02 2,5-Trichlorophenyl .gamma.-iodopropargil ether SCHEMBL3649 AC1Q3I91 Benzene, 1,2,4-trichloro-5-((3-iodo-2-propynyl)oxy)- CCG-220402 DB00793 Ether,4,5-trichlorophenyl Haloproginum KBio1_000762 Mycanden 2,4,5-Trichlorophenyl .gamma.-iodopropargil ether NSC-100071 3-Iodo-2-propynyl 2,4,5-trichlorophenyl ether UNII-AIU7053OWL aloprogen Benzene,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy]- CHEMBL1289 DSSTox_GSID_46865 Haloprogin [USAN:USP:INN:JAN] Halotex (Salt/Mix) KBio2_007501 1,2,4-Trichloro-5-(3-iodo-prop-2-ynyloxy)-benzene Mycilan (TN) 2,4,5-Trichlorophenyl iodopropargyl ether Polik (TN) 777H117 ZINC1530649 BCP20218 C9H4Cl3IO D00339 EINECS 212-286-6 Haloprogine HMS502G04 M 1028 1,2,4-trichloro-5-[(3-iodo-2-propynyl) oxy]benzene NINDS_000762 2,5-Trichlorophenyl .gamma.-iodopropargyl ether Spectrum_001852 AIU7053OWL Benzene, 1,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy]- CHEBI:5614 DivK1c_000762 FCH1325214 Haloproginum [INN-Latin] KBio2_002365 Mycanden (TN) 2,4,5-Trichlorophenyl .gamma.-iodopropargyl ether NSC100071 3-Iodo-2-propynyl 2,5-trichlorophenyl ether WLN: I1UU2OR BG DG EG AN-47592 BRD-K13238168-001-01-2 component of Halotex DSSTox_RID_81972 Haloprogin (JAN/USAN/INN) [ Show all ]
Inchi Key	CTETYYAZBPJBHE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2
PubChem CID	3561
ChEMBL	CHEMBL1289
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1222.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	458.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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