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GLASS

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GPCR

Name	D(2) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD2
Synonym	dopamine receptor 2 Dopamine D2 receptor D2R D2A and D_2B D2(415) and D₂₍₄₄₄₎ D2 receptor [ Show all ]
Disease	Substance dependence Major depressive disorder Maintain blood pressure in hypotensive states Insomnia Inflammatory disease Inflammatory bowel disease Idiopathic thrombocytopenic purpura Hypertension; Angina pectoris Hypertension Hyperprolactinemia Huntington's disease Glaucoma Gastrointestinal problems Malignant phaeochromocytoma; Benign prostatic hypertrophy; Malignant essential hypertension Migraine headaches Nasal congestion Sexual dysfunction Schizophrenia; Schizoaffective disorders Schizophrenia; Bipolar disorder Schizophrenia Psychotic disorders Psychosis Postpartum haemorrhage Peripheral vasoconstriction; Pulmonary hypertension Parkinson's disease Pain; Inflammatory diseases Ophthalmic disease Non-small cell lung cancer Nausea; Vomiting Fibrosis False perceptions; Bipolar disorder Emesis Chronic obstructive pulmonary disease Cerebrovascular ischaemia Cardiotonic Cardiac failure Bacterial infections Breast cancer Bipolar disorder; Schizophrenia Bipolar disorder Corneal vascularity; Hyperaemia; Itching Asthma; Bronchitis Anxiety disorder Carcinoid syndrome; Acromegaly Advanced stage Parkinson's disease Dermal necrosis Depressive fatigue Alcohol use disorders Allergy Alzheimer disease Hypotension [ Show all ]
Length	443
Amino acid sequence	MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRAHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKDHPKIAKIFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
UniProt	P14416
Protein Data Bank	6cm4, 6c38
GPCR-HGmod model	P14416
3D structure model	This structure is from PDB ID 6cm4.
BioLiP	BL0408379, BL0403379
Therapeutic Target Database	T67162
ChEMBL	CHEMBL217
IUPHAR	215
DrugBank	BE0000756

Ligand

Name	MELPERONE
Molecular formula	C16H22FNO
IUPAC name	1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one
Molecular weight	263.356
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.3
Synonyms	4'-Fluor-4-(4-methylpiperidino)-butyrophenone AKOS005899956 CAS-3575-80-2 DKMFBWQBDIGMHM-UHFFFAOYSA-N FLUBUPERONE Melperona methylperon NE31664 Z138288808 4-Fluoro-\|A-(4-methylpiperidino)butyrophenone BRD-K92984783-003-02-4 CHEMBL1531134 DSSTox_RID_76964 L000772 Melperone (INN) Metylperonum PDSP2_000836 AC1Q4NIX Buronil FG 5111 melperon Melperonum NCGC00167744-01 Tox21_112583_1 1622-79-3 (hydrochloride) 4'-Fluor-4-(4-methylpiperidino)butyrophenon BDBM81771 CAS_3575-80-2 DSSTox_CID_3298 FT-0670987 Melperona [INN-Spanish] Methylperone NSC_15387 ZINC1672 Bunil D05RUM DTXSID0023298 LS-174559 Melperone 1.0 mg/ml in Methanol MolPort-011-942-444 SCHEMBL146287 1-(4-Fluorophenyl)-4-(4-methyl-1-piperidinyl)-1-butanone AJ-08065 C16H22FNO DB09224 FG-5111 melperon FG 5111 Melperonum [INN-Latin] NCGC00167744-02 UNII-J8WA3K39B7 3575-80-2 4'-Fluoro-4-(4-methylpiperidino)butyrophenone BRD-K92984783-003-01-6 CHEBI:93626 DSSTox_GSID_23298 J8WA3K39B7 Metylperon PDSP1_000849 AC1L25SI Bunil (TN) D07309 EC 609-173-2 M2622 Melperone [INN:BAN:DCF] MRF-0000450 Tox21_112583 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one [ Show all ]
Inchi Key	DKMFBWQBDIGMHM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3
PubChem CID	15387
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81771
DrugBank	DB09224
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	3.6 nM	PMID16135699	PDSP,BindingDB
Ki	50.0 nM	PMID9577836, http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP,BindingDB
Ki	88.0 nM	PMID9015795	PDSP,BindingDB
Ki	105.0 nM	http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP
Ki	180.0 nM	PMID11132243	PDSP,BindingDB
Ki	181.5 nM	PMID8102973	PDSP,BindingDB
Ki	300.0 nM	http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP
Ki	520.0 nM	http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP

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