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GPCR

Name	Alpha-1B adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1b
Synonym	adrenergic receptor alpha 1B-adrenoceptor alpha 1B-adrenoreceptor adrenergic alpha 1B receptor Alpha-1B adrenoceptor Alpha-1B adrenoreceptor alpha1B-adrenergic receptor alpha1B-adrenoceptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
UniProt	P15823
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL315
IUPHAR	23
DrugBank	N/A

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	CATAPRES-TTS-1 SC-47255 1416-EP2308839A1 Catarpresan Spectrum4_000956 2,6-dichloro-N-(2-imidazolidinylidene)aniline Chlornidinum STL355995 2-(2,6-dichlorophenyl-imino)-imidazolidine Kapvay® Clonidine (JAN/USAN/INN) [3H]clonidine 2-[(2,6-dichlorophenyl)amino]-2-imidazoline KBio3_000615 Clonidinum [INN-Latin] Klofenil DB00575 AB00514634_09 MCULE-5017779690 Duraclont BCP07223 NCGC00015268-01 HMS1791P10 Bio1_001448 NCGC00024734-01 BSPBio_001588 NCGC00179680-05 1416-EP2272841A1 Prestwick0_000248 1416-EP2295406A1 Catapresan SMR001550184 1416-EP2314571A2 CHEBI:3757 SR-01000759380 2,6-dichloro-N-imidazolidin-2-ylideneaniline Clonidina Tox21_110118 2-(2,6-Dichlorophenylimino)imidazolidine KBio2_001821 Clonidine [USAN:BAN:INN] 2-[(2,6-Dichlorophenyl)imino]imidazolidine KBioGR_000308 Combipres 734571A Lopac0_000268 DSSTox_CID_2846 Adesipress MolPort-001-779-668 Gemiton BDBM50225285 NCGC00015268-04 HMS3402P10 BPBio1_000040 NCGC00024734-04 CAS-4205-91-8 Catapres- TTS Prestwick3_000248 1416-EP2298772A1 Catarpres-TTS Spectrum2_001187 1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro- (9CI) CHEMBL134 ST-155-BS 2-(2,6-Dichloroanilino)-1,3-diazacyclopentene-(2) clonidine (amino form) ZB015091 2-Imidazoline, 2-(2,6-dichloroanilino)-(7CI,8CI) KBio2_005444 Clonidinhydrochlorid 4205-90-7 KBioSS_001821 D03SKR AB00514634-07 M-5041T DTXSID6022846 API0002069 N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine # Hemiton Bio1_000470 NCGC00015268-07 IDI1_034058 BRD-K98530306-003-07-6 NCGC00179680-02 1416-EP2280010A2 CATAPRES-TTS-2 SCHEMBL5982 1416-EP2308867A2 CCG-204363 Spectrum5_000759 2,6-dichloro-N-2-imidazolidinylidenebenzenamide Clofenil Tenso-Timelets 2-(2,6-Dichlorophenylamino)-2-imidazoline KBio1_000774 Clonidine (JAN/USP/INN) 2-[(2,6-dichlorophenyl)imino]-2-imidazoline KBio3_000616 Clopheline L000193 DivK1c_000774 AC1L1EI5 MLS006011925 EINECS 224-119-4 BDBM14062 NCGC00015268-02 HMS1989P10 Bio2_000308 NCGC00024734-02 BSPBio_002055 Nexiclon XR Prestwick1_000248 1416-EP2298764A1 Catapressan SPBio_001233 1416-EP2314585A1 CHEBI:46632 SR-01000759380-4 2-((2,6-Dichlorophenyl)imino)imidazolidine Clonidina [INN-Spanish] Tox21_110118_1 2-Imidazoline, 2-(2,6-dichloroanilino)- KBio2_002876 Clonidine [USAN:USP:INN:BAN] 2-[(2,6-Dichlorophenyl)imino]imidazoline KBioGR_001572 D00281 AB00053441_03 LS-79606 DSSTox_GSID_22846 AKOS001595470 MRF-0000018 GJSURZIOUXUGAL-UHFFFAOYSA-N Benzenamine, 2,6-dichloro-N-2-imidazolidinylidene- NCGC00015268-05 HSDB 3040 BRD-K98530306-001-02-1 NCGC00024734-05 (2,6-dichloro-phenyl)-imidazolidin-2-ylidene-amine Catapres Catapres-TTS SBI-0050256.P004 1416-EP2301936A1 Catarpres-TTS (TN) Spectrum3_000358 1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-(9CI) Chlofazoline ST-155BS 2-(2,6-Dichloroanilino)-2-imidazoline Isoglaucon clonidine (imino form) ZINC896484 2-IMIDAZOLINE, 2-(2,6-DICHLOROPHENYLAMINO)- KBio2_006957 Clonidinum 4205-91-8 (mono-hydrochloride) Klofelin AB00514634-08 M199 Duraclon BBL025137 N-(2,6-dichlorophenyl)imidazolidin-2-imine HMS1361P10 Bio1_000959 NCGC00015268-08 BSPBio_000036 NCGC00179680-03 1416-EP2269989A1 1416-EP2281559A1 CATAPRES-TTS-3 SKF 34427 1416-EP2308870A2 CCRIS 7787 Spectrum_001341 2,6-Dichloro-N-2-imidazolidinylidenebenzenamine Clonidin Tocris-0690 2-(2,6-dichlorophenylimino)-imidazolidine KBio2_000308 Clonidine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material 2-[(2,6-dichlorophenyl)imino]-imidazolidine KBio3_001275 CLORPRES 57066-25-8 Lopac-C-7897 Dixarit AC1Q3K6V MN3L5RMN02 FT-0741246 BDBM50016897 NCGC00015268-03 HMS2089G11 Bio2_000788 NCGC00024734-03 CAS-4205-90-7 NINDS_000774 Catapres (TN) Prestwick2_000248 1416-EP2298765A1 Catarpres SPBio_002255 1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro- ST 155BS 2-(2',6'-dichlorophenylamino)-2-imidazoline UNII-MN3L5RMN02 2-Imidazoline, 2-(2,6-dichloroanilino)- (7CI,8CI) KBio2_004389 CLONIDINE, Clonidine hydrochloride 3h-clonidine KBioSS_000308 D02AZT AB00514634 M 5041T DSSTox_RID_76756 AKOS015960367 N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine GTPL516 BIDD:GT0547 NCGC00015268-06 IDI1_000774 BRD-K98530306-003-05-0 NCGC00179680-01 (2,6-Dichlorophenyl)imidazolidin-2-ylidene amine [ 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
IC50	1848.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	316.228 nM	PMID11082457	BindingDB
Ki	1023.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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