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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	J3.522.165D
Molecular formula	C35H48N6O5
IUPAC name	4-[3-(1-butyltriazol-4-yl)propoxy]-N-[4-[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl-propylamino]butyl]-3-methoxybenzamide
Molecular weight	632.806
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	5.1
Synonyms	N-[4-[Propyl[2-(8-hydroxy-2-oxo-1,2-dihydroquinoline-5-yl)ethyl]amino]butyl]-4-[3-(1-butyl-1H-1,2,3-triazole-4-yl)propoxy]-3-methoxybenzamide
Inchi Key	BOUDGQUEAMMTAE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H48N6O5/c1-4-6-21-41-25-28(38-39-41)10-9-23-46-31-15-12-27(24-32(31)45-3)35(44)36-18-7-8-20-40(19-5-2)22-17-26-11-14-30(42)34-29(26)13-16-33(43)37-34/h11-16,24-25,42H,4-10,17-23H2,1-3H3,(H,36,44)(H,37,43)
PubChem CID	122177643
ChEMBL	CHEMBL3577344
IUPHAR	N/A
BindingDB	50088580
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	140.0 nM	PMID25734236	BindingDB,ChEMBL
EC50	980.0 nM	PMID25734236	BindingDB,ChEMBL
EC50	1700.0 nM	PMID25734236	BindingDB,ChEMBL
EC50	3800.0 nM	PMID25734236	BindingDB,ChEMBL
EC50	7300.0 nM	PMID25734236	BindingDB,ChEMBL
Emax	82.0 %	PMID25734236	ChEMBL
Emax	84.0 %	PMID25734236	ChEMBL
Emax	85.0 %	PMID25734236	ChEMBL
Emax	86.0 %	PMID25734236	ChEMBL
Emax	87.0 %	PMID25734236	ChEMBL
Ki	24.0 nM	PMID25734236	BindingDB,ChEMBL
Ki	53.0 nM	PMID25734236	BindingDB,ChEMBL

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