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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	fauc-365
Molecular formula	C23H25Cl2N3OS
IUPAC name	N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide
Molecular weight	462.433
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	6.2
Synonyms	ZINC13491634 AOB1711 KB-272558 Benzo[b]thiophene-2-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide NCGC00370702-02 474432-66-1 CHEMBL59725 AS-16480 MolPort-039-138-738 C23H25Cl2N3OS SYN5116 BDBM50119390 N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide [ Show all ]
Inchi Key	CPTSTFKVXWZGEV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25Cl2N3OS/c24-18-7-5-8-19(22(18)25)28-14-12-27(13-15-28)11-4-3-10-26-23(29)21-16-17-6-1-2-9-20(17)30-21/h1-2,5-9,16H,3-4,10-15H2,(H,26,29)
PubChem CID	10276451
ChEMBL	CHEMBL59725
IUPHAR	N/A
BindingDB	50119390
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	95.0 -	PMID15689168	ChEMBL
IC50	94.7 nM	PMID15916415	BindingDB,ChEMBL
Ki	42.5 nM	PMID15916415	BindingDB,ChEMBL
Ki	64.7 nM	PMID15689168, PMID15916415	BindingDB,ChEMBL
Ki	1000.0 nM	PMID26299826	BindingDB,ChEMBL
Ki	2600.0 nM	PMID15225707, PMID16139501, PMID12361386	BindingDB,ChEMBL
Ki	3600.0 nM	PMID15225707, PMID16139501, PMID12361386, PMID23618707, PMID15689154	BindingDB,ChEMBL
Ki	3630.78 nM	PMID17266201	ChEMBL

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