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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	630116-49-3
Molecular formula	C19H23N3O
IUPAC name	N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
Molecular weight	309.413
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.3
Synonyms	PubChem16924 2-(3'',4'',-5'',6''-tetrahydro-2''H-[2,4''-bipyridine]-1''-yl)-N-(m-tolyl)acetamide a-412997 dihydrochloride DTXSID70212234 LS-193908 UNII-RWL9H93ARB BDBM50200037 N-(3-methylphenyl)-4-(2-pyridinyl)-1-piperidineacetamide Dihydrochloride A-412,997 D07VBS RWL9H93ARB 2-(4-(pyridin-2-yl)piperidin-1-yl)-N-m-tolylacetamide A412997 GTPL3301 N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide ZINC13984603 NCGC00370711-04 1-Piperidineacetamide, N-(3-methylphenyl)-4-(2-pyridinyl)- A-412997 DB-073239 SCHEMBL4010266 2-(4-(Pyridin-2-yl)piperidin-1-yl)-N-m-tolylacetamide hcl AJ-64554 KB-270503 N-(3-methylphenyl)-4-(2-pyridinyl)-1-Piperidineacetamide CHEMBL375596 [ Show all ]
Inchi Key	JFCDMGGMCUKHST-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)
PubChem CID	10425450
ChEMBL	CHEMBL375596
IUPHAR	3301
BindingDB	50200037
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2900.0 nM	PMID17149874	BindingDB,ChEMBL

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