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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	terconazole
Molecular formula	C26H31Cl2N5O3
IUPAC name	1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine
Molecular weight	532.466
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.8
Synonyms	Tox21_110679 AKOS016846147 BSPBio_000389 cis-1-(p-((2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-isopropylpiperazine DTXSID2045498 J-008500 NCGC00016912-01 Piperazine, 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, cis- SR-01000841196 Terconazol 1-[4-[[(2R)-2alpha-(2,4-Dichlorophenyl)-2beta-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methoxy]phenyl]-4-(1-methylethyl)piperazine 915T315 Zazole BDBM50375318 CAS-67915-31-5 D00888 Gyno-Terazol KS-00000H43 NSC-760361 R 42470 Terazol 3 (2R,4S)-terconazole Terconazole (USAN/INN) AC1L9B2M BRD-K86204871-001-02-2 DSSTox_GSID_45498 HMS3713D11 MLS002153844 Pharmakon1600-01503847 SCHEMBL23165 Terazol 7 & 3 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine Terconazolum [INN-Latin] Triaconazole AS-14153 C08080 CS-6456 EINECS 267-751-6 KB-217439 NCGC00179575-01 Prestwick3_000495 SR-01000841196-2 Terconazol [INN-Spanish] 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine AB00513849 ZINC3873936 BIDD:GT0705 CCG-213216 DB00251 HMS2096D11 KS-1463 NSC760361 R-42470 Terazol 3 (TN) 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)piperazine Terconazole [USAN:INN:BAN] Tercospor AK135621 BRD-K86204871-001-13-9 CHEMBL1306 DSSTox_RID_80917 HY-B1790 MolPort-006-133-612 Piperazine, 1-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, rel- SMR001233206 Terazol Cream & Suppositories 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine UNII-0KJ2VE664U component BLSQLHNBWJLIBQ-OZXSUGGESA-N AX8152619 C26H31Cl2N5O3 CT0256 Fungistat KM1155 NSC 331942 R 42,470 Terazol 67915-31-5 AB00513849_07 BPBio1_000429 CHEBI:82980 DSSTox_CID_25498 HMS2233C22 LS-176634 Panlomyc rel-(2S,4S)-Terconazole Terazol 7 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine Terconazolum [ Show all ]
Inchi Key	BLSQLHNBWJLIBQ-OZXSUGGESA-N
Inchi ID	InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1
PubChem CID	441383
ChEMBL	CHEMBL1306
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	983.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	369.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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