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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	clonidine
Molecular formula	C9H9Cl2N3
IUPAC name	N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
Molecular weight	230.092
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	1.6
Synonyms	Tocris-0690 KBio2_000308 KBio3_001275 Lopac-C-7897 MN3L5RMN02 NCGC00015268-03 NCGC00024734-03 NINDS_000774 SKF 34427 Spectrum_001341 2-IMIDAZOLINE, 2-(2,6-DICHLOROPHENYLAMINO)- Clonidinum 4205-91-8 (mono-hydrochloride) AB00514634-08 Duraclon BBL025137 HMS1361P10 Bio1_000959 BSPBio_000036 1416-EP2269989A1 Catapres-TTS 1416-EP2301936A1 Catarpres-TTS (TN) 1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-(9CI) Chlofazoline 2-(2,6-Dichloroanilino)-2-imidazoline clonidine (imino form) ST 155BS UNII-MN3L5RMN02 KBio2_004389 KBioSS_000308 M 5041T N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine NCGC00015268-06 NCGC00179680-01 Prestwick2_000248 SPBio_002255 Clonidine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 2-[(2,6-dichlorophenyl)imino]-imidazolidine CLORPRES 57066-25-8 Dixarit AC1Q3K6V FT-0741246 BDBM50016897 HMS2089G11 Bio2_000788 CAS-4205-90-7 1416-EP2281559A1 CATAPRES-TTS-3 1416-EP2308870A2 CCRIS 7787 2,6-Dichloro-N-2-imidazolidinylidenebenzenamine Clonidin 2-(2,6-dichlorophenylimino)-imidazolidine STL355995 Kapvay® [3H]clonidine KBio3_000615 Klofenil MCULE-5017779690 NCGC00015268-01 NCGC00024734-01 NCGC00179680-05 SC-47255 Spectrum4_000956 2-Imidazoline, 2-(2,6-dichloroanilino)- (7CI,8CI) CLONIDINE, Clonidine hydrochloride 3h-clonidine D02AZT AB00514634 DSSTox_RID_76756 AKOS015960367 GTPL516 BIDD:GT0547 IDI1_000774 BRD-K98530306-003-05-0 (2,6-Dichlorophenyl)imidazolidin-2-ylidene amine Catapres (TN) 1416-EP2298765A1 Catarpres 1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro- 2-(2',6'-dichlorophenylamino)-2-imidazoline SR-01000759380 Tox21_110118 KBio2_001821 KBioGR_000308 Lopac0_000268 MolPort-001-779-668 NCGC00015268-04 NCGC00024734-04 Prestwick0_000248 SMR001550184 2-[(2,6-dichlorophenyl)amino]-2-imidazoline Clonidinum [INN-Latin] DB00575 AB00514634_09 Duraclont BCP07223 HMS1791P10 Bio1_001448 BSPBio_001588 1416-EP2272841A1 CATAPRES-TTS-1 1416-EP2308839A1 Catarpresan 2,6-dichloro-N-(2-imidazolidinylidene)aniline Chlornidinum 2-(2,6-dichlorophenyl-imino)-imidazolidine Clonidine (JAN/USAN/INN) ST-155-BS ZB015091 KBio2_005444 KBioSS_001821 M-5041T N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine # NCGC00015268-07 NCGC00179680-02 Prestwick3_000248 Spectrum2_001187 Clonidine [USAN:BAN:INN] 2-[(2,6-Dichlorophenyl)imino]imidazolidine Combipres 734571A DSSTox_CID_2846 Adesipress Gemiton BDBM50225285 HMS3402P10 BPBio1_000040 CAS-4205-91-8 1416-EP2295406A1 Catapresan 1416-EP2314571A2 CHEBI:3757 2,6-dichloro-N-imidazolidin-2-ylideneaniline Clonidina 2-(2,6-Dichlorophenylimino)imidazolidine Tenso-Timelets KBio1_000774 KBio3_000616 L000193 MLS006011925 NCGC00015268-02 NCGC00024734-02 Nexiclon XR SCHEMBL5982 Spectrum5_000759 2-Imidazoline, 2-(2,6-dichloroanilino)-(7CI,8CI) Clonidinhydrochlorid 4205-90-7 D03SKR AB00514634-07 DTXSID6022846 API0002069 Hemiton Bio1_000470 IDI1_034058 BRD-K98530306-003-07-6 Catapres- TTS 1416-EP2298772A1 Catarpres-TTS 1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro- (9CI) CHEMBL134 2-(2,6-Dichloroanilino)-1,3-diazacyclopentene-(2) clonidine (amino form) SR-01000759380-4 Tox21_110118_1 KBio2_002876 KBioGR_001572 LS-79606 MRF-0000018 NCGC00015268-05 NCGC00024734-05 Prestwick1_000248 SPBio_001233 Clonidine (JAN/USP/INN) 2-[(2,6-dichlorophenyl)imino]-2-imidazoline Clopheline DivK1c_000774 AC1L1EI5 EINECS 224-119-4 BDBM14062 HMS1989P10 Bio2_000308 BSPBio_002055 1416-EP2280010A2 CATAPRES-TTS-2 1416-EP2308867A2 CCG-204363 2,6-dichloro-N-2-imidazolidinylidenebenzenamide Clofenil 2-(2,6-Dichlorophenylamino)-2-imidazoline ST-155BS Isoglaucon ZINC896484 KBio2_006957 Klofelin M199 N-(2,6-dichlorophenyl)imidazolidin-2-imine NCGC00015268-08 NCGC00179680-03 SBI-0050256.P004 Spectrum3_000358 Clonidine [USAN:USP:INN:BAN] 2-[(2,6-Dichlorophenyl)imino]imidazoline D00281 AB00053441_03 DSSTox_GSID_22846 AKOS001595470 GJSURZIOUXUGAL-UHFFFAOYSA-N Benzenamine, 2,6-dichloro-N-2-imidazolidinylidene- HSDB 3040 BRD-K98530306-001-02-1 (2,6-dichloro-phenyl)-imidazolidin-2-ylidene-amine Catapres 1416-EP2298764A1 Catapressan 1416-EP2314585A1 CHEBI:46632 2-((2,6-Dichlorophenyl)imino)imidazolidine Clonidina [INN-Spanish] 2-Imidazoline, 2-(2,6-dichloroanilino)- [ Show all ]
Inchi Key	GJSURZIOUXUGAL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
PubChem CID	2803
ChEMBL	CHEMBL134
IUPHAR	516
BindingDB	50016897
DrugBank	DB00575
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
EC50	8.1 nM	N/A	BindingDB
EC50	8.128 nM	Bioorg. Med. Chem. Lett., (1994) 4:19:2317	ChEMBL
EC50	8.3 nM	PMID20925410	BindingDB
EC50	8.318 nM	PMID20925410	ChEMBL
EC50	10.0 nM	None	ChEMBL
EC50	28.0 nM	PMID21129985	BindingDB,ChEMBL
EC50	30.0 nM	PMID22172308, PMID27265687	BindingDB,ChEMBL
EC50	30.2 nM	PMID27265687	ChEMBL
Emax	51.0 %	PMID22172308	ChEMBL
Emax	94.0 %	None	ChEMBL
IC50	280.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Intrinsic activity	0.9 -	PMID20925410	ChEMBL
Intrinsic activity	41.0 %	PMID27265687	ChEMBL
Intrinsic activity	53.0 %	PMID21129985	ChEMBL
Ki	0.630958 - 63.0958 nM	PMID9824686, PMID9605427, PMID9760042	IUPHAR
Ki	3.8 nM	PMID8784451, PMID8632424	BindingDB,ChEMBL
Ki	7.9 nM	N/A	BindingDB
Ki	7.943 nM	Bioorg. Med. Chem. Lett., (1994) 4:19:2317	ChEMBL
Ki	8.7 nM	PMID22750139	BindingDB
Ki	8.71 nM	PMID22750139	ChEMBL
Ki	28.0 nM	PMID27265687	BindingDB,ChEMBL
Ki	31.6228 nM	PMID11082457	PDSP,BindingDB
Ki	35.4813 nM	PMID11082457	PDSP,BindingDB
Ki	50.1187 nM	PMID11082457	PDSP,BindingDB
Ki	61.6595 nM	PMID9605427	PDSP
Ki	61.66 nM	PMID9605427	BindingDB
Ki	105.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	853.0 nM	PMID10715142	BindingDB,ChEMBL

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