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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	GR 103691
Molecular formula	C30H35N3O3
IUPAC name	4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
Molecular weight	485.628
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.8
Synonyms	4''-acetyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)biphenyl-4-carboxamide AKOS022181851 BRD-K50891186-001-01-0 DB-043523 GR 103691, >=98% (HPLC), solid MolPort-003-941-435 SR-01000597384-1 4'-acetyl-N-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}biphenyl-4-carboxamide BCP27715 CC-17652 DSSTox_RID_80056 gr103691 NCGC00025004-03 Tox21_110943_1 (1,1'-Biphenyl)-4-carboxamide, 4'-acetyl-N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)- AC1N7ICA Biomol-NT_000041 CHEMBL294747 GR 103,691 KB-188935 SCHEMBL1156684 4 inverted exclamation marka-Acetyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-[1,1 inverted exclamation marka-biphenyl]-4-carboxamide 4'-acetyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)biphenyl-4-carboxamide AN-16951 C-35643 DSSTox_CID_22602 GR 103691\|4'-Acetyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-[1,1'-biphenyl]-4-carboxamide NCGC00025004-01 Tocris-1109 4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide BCP9000730 CHEBI:92882 DTXSID6042602 HMS3267K12 NCGC00025004-04 UNII-0Y0CM1A77L 0Y0CM1A77L AJ-45670 BPBio1_001263 CTK8E8996 MFCD00936840 SR-01000597384 4''-Acetyl-biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide 4'-Acetyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-[1,1'-biphenyl]-4-carboxamide B6600 CAS-162408-66-4 DSSTox_GSID_42602 GR-103691 NCGC00025004-02 Tox21_110943 BDBM50342717 FT-0643571 J-009934 RT-013113 ZINC3810247 162408-66-4 [ Show all ]
Inchi Key	JARNORYOPMINDY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H35N3O3/c1-23(34)24-9-11-25(12-10-24)26-13-15-27(16-14-26)30(35)31-17-5-6-18-32-19-21-33(22-20-32)28-7-3-4-8-29(28)36-2/h3-4,7-16H,5-6,17-22H2,1-2H3,(H,31,35)
PubChem CID	4302960
ChEMBL	CHEMBL294747
IUPHAR	N/A
BindingDB	50342717
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	39.81 nM	Bioorg. Med. Chem. Lett., (1997) 7:15:1995, Bioorg. Med. Chem. Lett., (1995) 5:3:219	ChEMBL
Ki	40.0 nM	N/A	BindingDB

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