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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	SC-53116
Molecular formula	C16H22ClN3O2
IUPAC name	4-amino-5-chloro-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-2-methoxybenzamide
Molecular weight	323.821
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.1
Synonyms	141196-99-8 4-amino-5-chloro-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]-2-methoxybenzamide GTPL238 ZINC3790774 4-Amino-5-chloro-N-((hexahydro-1H-pyrrolizin-1-yl)methyl)-2-methoxybenzamide (1S-cis)- BDBM50005833 SC 53116 (1S-cis)-4-Amino-5-chloro-N-((hexahydro-1H-pyrrolizin-1-yl)methyl)-2-methoxybenzamide 4-Amino-5-chloro-N-[(1S,7aS)-1-(hexahydro-pyrrolizin-1-yl)methyl]-2-methoxy-benzamide CHEMBL34291 SC53116 NCGC00408826-01 4-Amino-5-chloro-N-((hexahydro-1H-pyrrolizin-1-yl)methyl)-2-methoxybenzamide hydrochloride Benzamide, 4-amino-5-chloro-N-((hexahydro-1H-pyrrolizin-1-yl)methyl)-2-methoxy-, (1S-cis)- (exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-ylmethyl)-2-methoxy-benzamide 4-amino-5-chloro-N-[(1S-cis-hexahydro-1H-pyrrolizin-1-yl)-methyl]-2-methoxybenzenecarboxamide D0ZG9N SCHEMBL678624 4-Amino-5-chloro-2-methoxy-N-(7a-methyl-hexahydro-pyrrolizin-1-ylmethyl)-benzamide AC1L30TD PDSP2_001604 4-Amino-5-chloro-N-(hexahydro-pyrrolizin-2-ylmethyl)-2-methoxy-benzamide SC49518 [ Show all ]
Inchi Key	GAYSOZKZPOVDSB-HZMBPMFUSA-N
Inchi ID	InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
PubChem CID	132337
ChEMBL	CHEMBL34291
IUPHAR	238
BindingDB	50005833
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	<10000.0 nM	PMID16451077	BindingDB,ChEMBL
Ki	<10000.0 nM	PMID15149647	BindingDB,ChEMBL

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