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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	danazol
Molecular formula	C22H27NO2
IUPAC name	(1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
Molecular weight	337.463
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	HY-B1029 17a-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol NC00557 230D885 NSC270916 anatrol Prestwick2_000105 BRD-K48970916-001-03-0 SMR000058321 CHEMBL1479 Tox21_301940 WIN-17757 Danazolum [INN-Latin] Danzol ethynyl(dimethyl)[?]ol 1-ethynyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-10a,12a-dimethyl-1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol 17-alpha-Pregn-4-en-20-yno(2,3-d)isoxazol-17-ol LS-118524 17\|A-hydroxy-2,4,17\|A-pregnadien-20-yno[2,3-D]isoxazole NCGC00179665-02 AC1Q282K Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol,} (17.alpha.)- AS-13035 ratiopharm Brand of Danazol CAS-17230-88-5 SR-01000760722-2 Cyclomen W-107864 Danazol [USAN:BAN:INN:JAN] [1,2]oxazolo[4',5':2,3]-17alpha-pregn-4-en-20-yn-17-ol Danogen DSSTox_CID_2880 (17a)-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol HMS2090A22 HMS3259M10 17230-88-5 MLS001306473 1H-Cyclopenta[7,8]phenanthro[3,2-d]isoxazole- pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol deriv. Norciden Alphapharm Brand of Danazol Prestwick0_000105 Bonzol Sanofi Winthrop Brand of Danazol CHEBI:4315 Tox21_112114 Danatrol WIN 17757 Danazole Danoval DTXSID2022880 (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5,9-trien-17-ol 17 alpha-pregna-2,4-dien-20-yno[2,3-D] isoxazol-17 beta-ol Kendrick Brand of Danazol 17alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol NCGC00164400-01 AC-6836 Optina Antigen Brand of Danazol Prestwick3_000105 BSPBio_000090 SPBio_002029 Chronogyn UNII-N29QWW3BUO Danazol (JAN/USP/INN) Winobanin Danocrine GTPL6942 17-alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol MCULE-5533294331 199957-EP2272825A2 NCGC00179665-04 AC1Q29FD Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol, (17alpha)- BCP11914 Sanofi Brand of Danazol CCG-220105 SR-05000000445 D00289 Win 17, 757 Danazol [USAN:USP:INN:BAN:JAN] Danokrin DSSTox_GSID_22880 (1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol HMS2095E12 HMS3712E12 17a-Pregna-2,4-dien-20-yne-[2,3-d]isoxazole-17b-ol N29QWW3BUO 2,4,17alpha-Pregnadien-20-yno[2,3-d]-isoxa-zol-17-ol NSC 270916 AN-9615 Prestwick1_000105 BPBio1_000100 SCHEMBL21107 Tox21_112114_1 Danazant Win-17,757 Danazolum Danovaol EINECS 241-270-1 1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol 17-alpha-2,4-Pregnadien-20-yno(2,3-d)isoxazol-17-ol Ladogal 17beta-Hydroxy-2,4,17alpha-pregnadien-20-yno[2,3-d]-isoxazole NCGC00179665-01 AC1L1FAD Panacrine API0002209 Prestwick_150 C06938 SR-01000760722 CS-4547 Vasaloc Danazol (JP17/USP/INN) ZINC3881958 Danocrine (TN) DB01406 HMS1568E12 HMS2231M08 17.Alpha.-Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol} MLS001066617 199957-EP2275420A1 NCGC00255335-01 AKOS015961192 Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol,(17alpha)- BDBM50423541 Sanofi Synthelabo Brand ofDanazol CCRIS 6747 SR-05000000445-2 D09IPV WIN 17,757 Danazol-ratiopharm Danol DSSTox_RID_76772 (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.0;{2,10}.0;{4,8}.0;{14,18}]icosa-4(8),5,9-trien-17-ol [ Show all ]
Inchi Key	POZRVZJJTULAOH-LHZXLZLDSA-N
Inchi ID	InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
PubChem CID	28417
ChEMBL	CHEMBL1479
IUPHAR	N/A
BindingDB	N/A
DrugBank	DB01406
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	18328.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	6873.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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