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	5-hydroxytryptamine receptor 1D
Species	Homo sapiens (Human)
Gene	HTR1D
Synonym	Serotonin 1D alpha receptor serotonin receptor 1D HTRL Htr1db 5-HT-1D 5-HT-1D-alpha 5-HT1D 5-HT1D receptor 5-HT1Dalpha 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled Gpcr14 HT1DA [ Show all ]
Disease	Acute migraine Epilepsy Migraine headaches Mood disorder Migraine Major depressive disorder Severe mood disorders [ Show all ]
Length	377
Amino acid sequence	MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
UniProt	P28221
Protein Data Bank	N/A
GPCR-HGmod model	P28221
3D structure model	This predicted structure model is from GPCR-EXP P28221.
BioLiP	N/A
Therapeutic Target Database	T11072
ChEMBL	CHEMBL1983
IUPHAR	3
DrugBank	BE0000659

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	[3H]clonidine KBio3_000615 Klofenil MCULE-5017779690 NCGC00015268-01 NCGC00024734-01 NCGC00179680-05 SC-47255 Spectrum4_000956 STL355995 Kapvay® 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 Clonidinum [INN-Latin] DB00575 AB00514634_09 Duraclont BCP07223 HMS1791P10 KBio2_001821 KBioGR_000308 Lopac0_000268 MolPort-001-779-668 NCGC00015268-04 NCGC00024734-04 Prestwick0_000248 SMR001550184 SR-01000759380 Tox21_110118 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] 2-[(2,6-Dichlorophenyl)imino]imidazolidine Combipres 734571A DSSTox_CID_2846 Adesipress Gemiton BDBM50225285 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 ST-155-BS 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) Clonidinhydrochlorid 4205-90-7 D03SKR AB00514634-07 DTXSID6022846 API0002069 Hemiton Bio1_000470 KBio3_000616 L000193 MLS006011925 NCGC00015268-02 NCGC00024734-02 Nexiclon XR SCHEMBL5982 Spectrum5_000759 Tenso-Timelets KBio1_000774 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 Clopheline DivK1c_000774 AC1L1EI5 EINECS 224-119-4 BDBM14062 HMS1989P10 KBio2_002876 KBioGR_001572 LS-79606 MRF-0000018 NCGC00015268-05 NCGC00024734-05 Prestwick1_000248 SPBio_001233 SR-01000759380-4 Tox21_110118_1 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] 2-[(2,6-Dichlorophenyl)imino]imidazoline D00281 AB00053441_03 DSSTox_GSID_22846 AKOS001595470 GJSURZIOUXUGAL-UHFFFAOYSA-N Benzenamine, 2,6-dichloro-N-2-imidazolidinylidene- ZINC896484 KBio2_006957 Klofelin M199 N-(2,6-dichlorophenyl)imidazolidin-2-imine NCGC00015268-08 NCGC00179680-03 SBI-0050256.P004 Spectrum3_000358 ST-155BS Isoglaucon 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)- Clonidinum 4205-91-8 (mono-hydrochloride) AB00514634-08 Duraclon BBL025137 HMS1361P10 KBio2_000308 KBio3_001275 Lopac-C-7897 MN3L5RMN02 NCGC00015268-03 NCGC00024734-03 NINDS_000774 SKF 34427 Spectrum_001341 Tocris-0690 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 2-[(2,6-dichlorophenyl)imino]-imidazolidine CLORPRES 57066-25-8 Dixarit AC1Q3K6V FT-0741246 BDBM50016897 HMS2089G11 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 ST 155BS UNII-MN3L5RMN02 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 3h-clonidine D02AZT AB00514634 DSSTox_RID_76756 AKOS015960367 GTPL516 BIDD:GT0547 [ 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
Inhibition	5.0 %	PMID15324890	ChEMBL

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