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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	FLUPHENAZINE
Molecular formula	C22H26F3N3OS
IUPAC name	2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
Molecular weight	437.525
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.4
Synonyms	BPBio1_001187 Permitil (Salt/Mix) MCULE-7579992672 Calmansial Prestwick2_000320 Moditen Hcl cid_3372 Prolixine 1-(2-Hydroxyethyl)-4-(3-(trifluoromethyl-10-phenothiazinyl)propyl)-piperazine Dapotum (TN) Selecten (TN) 10-(3'-(4"-(beta-Hydroxyethyl)-1"-piperazinyl)-propyl)-3-trifluoromethylphenothiazine DSSTox_CID_3068 Spectrum2_001199 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethan-1-ol Flufenazin Tensofin (Salt/Mix) 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;hydrochloride Fluorphenazine ZINC19203912 4-[3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazineethanol GTPL204 AB00053587_19 NCGC00015436-03 KBio2_002386 Apo-Fluphenazine NCGC00024429-03 KBioGR_002386 NSC 62323 L000257 BRD-K55127134-300-07-0 Phenothiazine, 10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2-(trifluoromethyl)- Modecate (TN) CCG-204645 Probes2_000295 CTK8F9822 S79426A41Z 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)- (9CI) Sinqualone (TN) 1451-EP2272537A2 DTXSID2023068 Spectrum5_001536 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine flufenazine Trancin (TN) 4-(3-(-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol Fluphenazine (INN) HSDB 3334 AKOS001659031 NCGC00015436-06 KBio2_005905 BDBM78433 Biomol-NT_000023 Pacinol LS-112565 C07010 Prestwick0_000320 Moditen (TN) CHEMBL726 Prolixin (TN) D0P5SA SCHEMBL19221 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]- Deconoate (TN) SPBio_001277 2-(4-(3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol Enanthate (TN) SR-01000003048-5 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol Fluorfenazine pound (3/4)<Vespazine 4-(3-(2-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol Fluphenazinum [INN-Latin] AB00053587 NCGC00015436-01 KBio1_000511 Anatensol (TN) NCGC00015436-09 KBio3_002865 KBioSS_000769 BRD-K55127134-001-01-7 Permitil (TN) MFCD00242759 CAS-146-56-5 Prestwick3_000320 MolPort-001-727-938 cid_6602611 Prolixine (Salt/Mix) 1-(2-Hydroxyethyl)-4-[3-(trifluoromethyl-10-phenothiazinyl)propyl]piperazine Dapotum D (TN) Sevinol 10-(3'-(4''-(beta-Hydroxyethyl)-1''-piperazinyl)-propyl)-3-trifluoromethylphenothiazine DSSTox_GSID_23068 Spectrum3_001420 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethanol Flufenazina Tox21_110146 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazino]ethanol;hydrochloride Fluphenazin 47646-09-3 HMS2089C16 AC1L1FSB NCGC00015436-04 KBio2_003337 AX8130619 NCGC00024429-04 NSC62323 Lopac-F-4765 BSPBio_000320 Phthorphenazine Moditen CHEBI:5123 Prolixin D07977 S94 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-(9CI) DB00623 Siqualine 1451-EP2298776A1 EINECS 200-702-9 Spectrum_000289 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol Flunanthate (TN) Triflumethazine 4-(3-(2-(Trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-1-piperazineethanol Fluphenazine [INN:BAN] A 4077 Hydrochloride, Fluphenazine Anatensol NCGC00015436-07 KBio2_007522 BG0198 BPBio1_000352 Permitil Lyogen (TN) C22H26F3N3OS Prestwick1_000320 Moditen Enanthate Injection (TN) ChemDiv1_024180 Prolixin Concentrate 0680AC Dapotum Sediten (TN) 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]- DivK1c_000511 SPBio_002539 2-(4-(3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol # Fludecate (TN) STK050763 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol dihydrochloride Fluorophenazine Yespazine 4-[3-(2-Trifluoromethyl-10-phenothiazyl)-propyl]-1-piperazineethanol Ftorphenazine AB00053587-18 NCGC00015436-02 KBio2_000769 API0006719 NCGC00015436-11 KBioGR_001375 KBioSS_002391 BRD-K55127134-300-05-4 Permitil Concentrate MLS001076508 CAS-69-23-8 Probes1_000254 cMAP_000035 S 94 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)- Dapotum Injektion (TN) Sevinol (TN) 10-(3-(2-Hydroxyethyl)piperazinopropyl)-2-(trifluoromethyl)phenothiazine DSSTox_RID_76862 Spectrum4_000828 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-pipe razinyl)propyl)phenothiazine Flufenazina [DCIT] Tox21_110146_1 69-23-8 HMS655L02 AJ-72569 NCGC00015436-05 KBio2_004954 BCP21399 NINDS_000511 BIDD:PXR0184 Omca (TN) Lopac0_000555 BSPBio_003100 PLDUPXSUYLZYBN-UHFFFAOYSA-N Moditen (Tabl or elixir) Prolixin (Salt/Mix) D0B7SP SBI-0050538.P003 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)- Decanoate (TN) Siqualon 2-(4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol Elinol SQ 4918 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol;hydrochloride Fluorfenazine UNII-S79426A41Z 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-1-Piperazineethanol Fluphenazinum A836405 MRF-0000359 IDI1_000511 Anatensol (Salt/Mix) NCGC00015436-08 KBio3_002320 [ Show all ]
Inchi Key	PLDUPXSUYLZYBN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
PubChem CID	3372
ChEMBL	CHEMBL726
IUPHAR	204
BindingDB	78433
DrugBank	DB00623
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	215.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	80.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	304.0 nM	PMID1656026	BindingDB
Ki	314.1 nM	PMID12629531	BindingDB
Ki	1550.0 nM	PMID6149136	BindingDB
Ki	1562.5 nM	PMID2904784	BindingDB

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