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GPCR

Name	D(3) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD3
Synonym	dopaminergic receptor D3 D3R D3 receptor dopamine D3 receptor
Disease	Unspecified Emesis; Gastric motility disorder Female sexual dysfunction Male sexual disorders Psychotic disorders Cocaine addiction Schizophrenia Drug abuse [ Show all ]
Length	400
Amino acid sequence	MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
UniProt	P35462
Protein Data Bank	3pbl
GPCR-HGmod model	P35462
3D structure model	This structure is from PDB ID 3pbl.
BioLiP	BL0191566, BL0191567
Therapeutic Target Database	T02551
ChEMBL	CHEMBL234
IUPHAR	216
DrugBank	BE0000581

Ligand

Name	haloprogin
Molecular formula	C9H4Cl3IO
IUPAC name	1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)benzene
Molecular weight	361.384
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	4.6
Synonyms	CHEMBL1289 DSSTox_GSID_46865 Haloproginum KBio1_000762 Mycanden 2,4,5-Trichlorophenyl .gamma.-iodopropargil ether NSC-100071 3-Iodo-2-propynyl 2,4,5-trichlorophenyl ether UNII-AIU7053OWL aloprogen Benzene,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy]- C9H4Cl3IO D00339 EINECS 212-286-6 Haloprogin [USAN:USP:INN:JAN] Halotex (Salt/Mix) KBio2_007501 1,2,4-Trichloro-5-(3-iodo-prop-2-ynyloxy)-benzene Mycilan (TN) 2,4,5-Trichlorophenyl iodopropargyl ether Polik (TN) 777H117 ZINC1530649 BCP20218 CHEBI:5614 DivK1c_000762 FCH1325214 Haloprogine HMS502G04 M 1028 1,2,4-trichloro-5-[(3-iodo-2-propynyl) oxy]benzene NINDS_000762 2,5-Trichlorophenyl .gamma.-iodopropargyl ether Spectrum_001852 AIU7053OWL Benzene, 1,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy]- BRD-K13238168-001-01-2 component of Halotex DSSTox_RID_81972 Haloprogin (JAN/USAN/INN) Haloproginum [INN-Latin] KBio2_002365 Mycanden (TN) 2,4,5-Trichlorophenyl .gamma.-iodopropargyl ether NSC100071 3-Iodo-2-propynyl 2,5-trichlorophenyl ether WLN: I1UU2OR BG DG EG AN-47592 CAS-777-11-7 D06ZAY Ether, 3-iodo-2-propynyl 2,4,5-trichlorophenyl Haloprogina Halotex (TN) KBioSS_002369 1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)benzene NCGC00181134-01 2,4,5-Trichlorophenyl-gamma-iodopropargyl ether Prestwick_232 AC1L1G7Q BDBM50194601 DSSTox_CID_26865 Haloprogen Haloprogine [INN-French] IDI1_000762 M-1028 (Meiji) 1,2,4-trichloro-5-[(3-iodoprop-2-yn-1-yl)oxy]benzene NSC 100071 2,5-Trichlorophenyl iodopropargyl ether Tox21_112741 AKOS030627167 Benzene,1,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy] BRN 1976771 CTETYYAZBPJBHE-UHFFFAOYSA-N DTXSID9046865 Haloprogin [USAN:INN:JAN] Halotex KBio2_004933 (3-Iod-2-propinyl)-(2,4,5-trichlorphenyl)ether Mycilan 2,4,5-Trichlorophenyl gamma-iodopropargil ether Polik 777-11-7 Z3201 API0008981 CCG-220402 DB00793 Ether,4,5-trichlorophenyl Haloprogina [INN-Spanish] HMS3713A06 LS-67855 1,2,4-trichloro-5-(3-iodoprop-2-ynyloxy)benzene NCGC00181134-02 2,5-Trichlorophenyl .gamma.-iodopropargil ether SCHEMBL3649 AC1Q3I91 Benzene, 1,2,4-trichloro-5-((3-iodo-2-propynyl)oxy)- [ Show all ]
Inchi Key	CTETYYAZBPJBHE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2
PubChem CID	3561
ChEMBL	CHEMBL1289
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	488.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	166.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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