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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	158985-00-3
Molecular formula	C18H19ClN4
IUPAC name	3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight	326.828
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.4
Synonyms	3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine BRD-K05528470-001-01-9 CPMPP-3 L-745,870 NCGC00015588-01 NSC_3853 1H-Pyrrolo[2,3-b]pyridine,3-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]- AC1NSK75 CAS_3853 DTXSID40415513 L745870 NCGC00015588-04 SCHEMBL1059886 3-(4-[4-Chlorophenyl]piperazin-1-yl)-methyl-1H-pyrrolo[2,3-b]pyridine trihydrochloride Biomol-NT_000049 J3OLN3XSX7 LS-186986 NCGC00024931-02 ZINC95803215 BRD-K05528470-305-01-4 D0N1HW L-745870 NCGC00015588-02 PDSP1_001576 3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine API0003103 CCG-204875 FT-0689275 Lopac-L-131 NCGC00015588-05 Tocris-1002 3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine BPBio1_001299 CHEMBL267014 L 745,870 LS-187628 NCGC00024931-03 C099630000 DA-09764 L000337 NCGC00015588-03 PDSP2_001560 3-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo[2,3-b]pyridine BDBM85093 CHEBI:92099 GTPL3303 Lopac0_000791 NCGC00024931-01 UNII-J3OLN3XSX7 [ Show all ]
Inchi Key	OGJGQVFWEPNYSB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
PubChem CID	5311200
ChEMBL	CHEMBL267014
IUPHAR	3303
BindingDB	85093
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	360.0 nM	PMID9873481	BindingDB
Ki	<10000.0 nM	PMID19481941	PDSP
Ki	343.0 nM	PMID16135699	PDSP,BindingDB
Ki	448.0 nM	PMID15084133	BindingDB,ChEMBL
Ki	908.0 nM	PMID10602703, PMID9873377	BindingDB,ChEMBL
Ki	920.0 nM	PMID9822559	BindingDB,ChEMBL
Ki	960.0 nM	PMID19155177, PMID8642550, PMID10098669, PMID15501032, PMID24800940	PDSP,BindingDB,ChEMBL
Ki	38000.0 nM	PMID11844688, PMID19481941	BindingDB,ChEMBL
Ki	53703.2 nM	PMID17266201	ChEMBL
Ki	54000.0 nM	PMID11844688, PMID19481941	BindingDB,ChEMBL

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