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