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GPCR

Name	5-hydroxytryptamine receptor 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

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	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 BRN 1976771 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)- CCG-220402 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]- 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 C9H4Cl3IO 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]- 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 BRD-K13238168-001-01-2 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 CAS-777-11-7 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] [ 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	2602.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1363.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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