Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	Alpha-1D adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1D
Synonym	alpha1a/d-adrenoceptor adrenergic receptor delta1 Gpcr8 Adrd1 ADRA1R ADRA1A ADRA1 Adra-1 alpha 1D-adrenoceptor alpha 1D-adrenoreceptor alpha1D-adrenoceptor alpha1A/D alpha1A-adrenoceptor Alpha-adrenergic receptor 1a Alpha-1D adrenoreceptor Alpha-1D adrenoceptor Alpha-1A adrenergic receptor alpha1D-AR [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Congestive heart failure Diabetes Erectile dysfunction Fecal incontinence Glaucoma Hypertension Pediatric cancer Peripheral vascular disease Prostate disease Prostate hyperplasia [ Show all ]
Length	572
Amino acid sequence	MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWVVALVVSVGPLLGWKEPVPPDERFCGITEEAGYAVFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGVKRERGKASEVVLRIHCRGAATGADGAHGMRSAKGHTFRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRRRRPLWRVYGHHWRASTSGLRQDCAPSSGDAPPGAPLALTALPDPDPEPPGTPEMQAPVASRRKPPSAFREWRLLGPFRRPTTQLRAKVSSLSHKIRAGGAQRAEAACAQRSEVEAVSLGVPHEVAEGATCQAYELADYSNLRETDI
UniProt	P25100
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T53381
ChEMBL	CHEMBL223
IUPHAR	24
DrugBank	BE0004863, BE0000715

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-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 Clonidine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material NCGC00024734-03 NINDS_000774 SKF 34427 Spectrum_001341 Tocris-0690 KBio2_000308 KBio3_001275 Lopac-C-7897 MN3L5RMN02 NCGC00015268-03 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 2-Imidazoline, 2-(2,6-dichloroanilino)- (7CI,8CI) CLONIDINE, Clonidine hydrochloride NCGC00179680-01 Prestwick2_000248 SPBio_002255 ST 155BS UNII-MN3L5RMN02 KBio2_004389 KBioSS_000308 M 5041T N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine NCGC00015268-06 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) 2-[(2,6-dichlorophenyl)amino]-2-imidazoline NCGC00024734-01 NCGC00179680-05 SC-47255 Spectrum4_000956 STL355995 Kapvay® [3H]clonidine KBio3_000615 Klofenil MCULE-5017779690 NCGC00015268-01 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 Clonidine [USAN:BAN:INN] NCGC00024734-04 Prestwick0_000248 SMR001550184 SR-01000759380 Tox21_110118 KBio2_001821 KBioGR_000308 Lopac0_000268 MolPort-001-779-668 NCGC00015268-04 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) 2-Imidazoline, 2-(2,6-dichloroanilino)-(7CI,8CI) NCGC00179680-02 Prestwick3_000248 Spectrum2_001187 ST-155-BS ZB015091 KBio2_005444 KBioSS_001821 M-5041T N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine # NCGC00015268-07 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 Clonidine (JAN/USP/INN) 2-[(2,6-dichlorophenyl)imino]-2-imidazoline NCGC00024734-02 Nexiclon XR SCHEMBL5982 Spectrum5_000759 Tenso-Timelets KBio1_000774 KBio3_000616 L000193 MLS006011925 NCGC00015268-02 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)- Clonidine [USAN:USP:INN:BAN] NCGC00024734-05 Prestwick1_000248 SPBio_001233 SR-01000759380-4 Tox21_110118_1 KBio2_002876 KBioGR_001572 LS-79606 MRF-0000018 NCGC00015268-05 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) 2-IMIDAZOLINE, 2-(2,6-DICHLOROPHENYLAMINO)- NCGC00179680-03 SBI-0050256.P004 Spectrum3_000358 ST-155BS Isoglaucon ZINC896484 KBio2_006957 Klofelin M199 N-(2,6-dichlorophenyl)imidazolidin-2-imine NCGC00015268-08 [ 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
IC50	1210.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	125.893 nM	PMID11082457	PDSP,BindingDB
Ki	595.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417