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GPCR

Name	Alpha-2C adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2C
Synonym	alpha2-C4 Adra-2c ADRA2L2 ADRA2RL2 Adrenergic alpha2C- receptor class I adrenergic receptor alpha-2 adrenergic receptor subtype C4 alpha2C-adrenoceptor alpha-2C adrenergic receptor Alpha-2C adrenoceptor alpha-2C adrenoreceptor Alpha-2CAR [ Show all ]
Disease	Diabetic nephropathy; Fibromyalgia Hypertension Heart failure Glaucoma Alzheimer disease Asthma Erythema Contusion Depression Hypotension Male sexual disorders Neurological disease Obesity Ocular disease Allergic rhinitis Alcohol use disorders Ocular hypertension Poison intoxication Peptic ulcer Pain [ Show all ]
Length	462
Amino acid sequence	MASPALAAALAVAAAAGPNASGAGERGSGGVANASGASWGPPRGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSLYRQPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRAPVGPDGASPTTENGLGAAAGAGENGHCAPPPADVEPDESSAAAERRRRRGALRRGGRRRAGAEGGAGGADGQGAGPGAAESGALTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQVPGPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProt	P18825
Protein Data Bank	N/A
GPCR-HGmod model	P18825
3D structure model	This predicted structure model is from GPCR-EXP P18825.
BioLiP	N/A
Therapeutic Target Database	T01777
ChEMBL	CHEMBL1916
IUPHAR	27
DrugBank	BE0004864, BE0000342, BE0004888

Ligand

Name	MOLINDONE
Molecular formula	C16H24N2O2
IUPAC name	3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one
Molecular weight	276.38
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.7
Synonyms	3-Ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)-4H-indol-4-one 3-ethyl-2-methyl-5-[(morpholin-4-yl)methyl]-4,5,6,7-tetrahydro-1H-indol-4-one AB00514709 BDBM50130290 CHEMBL460 EN300-51101 MCULE-4631580563 Molindone [INN:BAN] Prestwick0_001035 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-4,5,6,7-tetrahydro-1H-indol-4-one 416M344 AC1L2N2H BSPBio_001249 D09TPF I14-11948 Molindona [INN-Spanish] NCGC00162218-01 Prestwick3_001035 15622-65-8 (mono-hydrochloride) 3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-tetrahydro-indol-4-one 65973-37-7 AKOS015899067 CHEBI:6965 DTXSID9023332 L001248 Molindone (MOL) NE48467 SPBio_003100 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one 3-Ethyl-2-methyl-6-(4-morpholinylmethyl)-1,5,6,7-tetrahydro-4H-indol-4-one # AB00514709_07 BPBio1_001374 CTK6D0629 GTPL207 Moban (TN) Molindonum Prestwick1_001035 (+-)-Molindone 3-ethyl-2-methyl-5-(morpholinomethyl)-1,5,6,7-tetrahydro-4H-indol-4-one 4H-Indol-4-one, 3-ethyl-1,5,6,7-tetrahydro-2-methyl-5-(4-morpholinylmethyl)- AC1Q2SRY C07230 Indol-4(5H)-one, 3-ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)- NCGC00162218-02 PubChem21442 3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-tetrahydro-indol-4-one ( Molindone) 7416-34-4 AN-9381 EN-1733A LS-83891 Molindone Monohydrochloride Oprea1_038890 Z802671522 3-ethyl-2-methyl-5-(morpholin-4-ylmethyl)-1,5,6,7-tetrahydroindol-4-one 3-Ethyl-6,7-dihydro-2-methyl-5-(morpholinomethyl)indol-4(5H)-one AC-7052 BRD-A65280694-003-03-8 D08226 HSDB 3131 Molindona Molindonum [INN-Latin] Prestwick2_001035 3-ethyl-2-methyl-5-(morpholinomethyl)-1,5,6,7-tetrahydroindol-4-one AC1Q6J6B C16H24N2O2 DB01618 KLPWJLBORRMFGK-UHFFFAOYSA-N Molindone (INN) NCGC00162218-03 SCHEMBL149233 [ Show all ]
Inchi Key	KLPWJLBORRMFGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
PubChem CID	23897
ChEMBL	CHEMBL460
IUPHAR	207
BindingDB	50130290
DrugBank	DB01618
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	172.6 nM	PMID12629531	PDSP,BindingDB

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