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GLASS

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GPCR

Name	D(1A) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD1
Synonym	D1 receptor D1A DADR Gpcr15 dopamine D1 receptor Dopamine-1A receptor [ Show all ]
Disease	Unspecified Hypertension Pain Parkinson's disease Psychiatric disorder Psychotic disorders Schizophrenia Substance dependence Type 2 diabetes Excessive bleeding following childbirth and spontaneous or elective abortion Cocaine addiction Dementia Cognitive disorders [ Show all ]
Length	446
Amino acid sequence	MRTLNTSAMDGTGLVVERDFSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVHAKNCQTTTGNGKPVECSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAFNADFRKAFSTLLGCYRLCPATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIARPLEKLSPALSVILDYDTDVSLEKIQPITQNGQHPT
UniProt	P21728
Protein Data Bank	N/A
GPCR-HGmod model	P21728
3D structure model	This predicted structure model is from GPCR-EXP P21728.
BioLiP	N/A
Therapeutic Target Database	T22118
ChEMBL	CHEMBL2056
IUPHAR	214
DrugBank	BE0000020

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	3-Iodo-2-propynyl 2,4,5-trichlorophenyl ether UNII-AIU7053OWL aloprogen Benzene,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy]- CHEMBL1289 DSSTox_GSID_46865 Haloproginum KBio1_000762 Mycanden 2,4,5-Trichlorophenyl .gamma.-iodopropargil ether NSC-100071 Polik (TN) 777H117 ZINC1530649 BCP20218 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 2,5-Trichlorophenyl .gamma.-iodopropargyl ether Spectrum_001852 AIU7053OWL Benzene, 1,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy]- CHEBI:5614 DivK1c_000762 FCH1325214 Haloprogine HMS502G04 M 1028 1,2,4-trichloro-5-[(3-iodo-2-propynyl) oxy]benzene NINDS_000762 NSC100071 3-Iodo-2-propynyl 2,5-trichlorophenyl ether WLN: I1UU2OR BG DG EG AN-47592 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 Prestwick_232 AC1L1G7Q BDBM50194601 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 2,5-Trichlorophenyl iodopropargyl ether Tox21_112741 AKOS030627167 Benzene,1,2,4-trichloro-5-[(3-iodo-2-propynyl)oxy] 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 Polik 777-11-7 Z3201 API0008981 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 SCHEMBL3649 AC1Q3I91 Benzene, 1,2,4-trichloro-5-((3-iodo-2-propynyl)oxy)- 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 [ 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	563.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	282.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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