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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	corynanthine
Molecular formula	C21H26N2O3
IUPAC name	methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular weight	354.45
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.9
Synonyms	483-10-3 Bio1_000961 HMS2231N15 MLS001332619 Prestwick2_000578 ST057156 AC1L3OSP BPBio1_000436 MEGxp0_001869 NCGC00015878-02 Rauhimbine Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha)- (9CI) 17\|A-Hydroxyyohimban-16\|A-carboxylic acid methyl ester BDBM50027058 CCG-208620 F5Z7C9RK8U methyl (3S,4S,4aS,5aS,14aR)-3-hydroxy-1,2,3,4,5,11,14,14a,4a,5a-decahydrobenzo [3,2-g]indolo[2,3-a]quinolizine-4-carboxylate Prestwick0_000578 SMR000857089 Bio1_001450 CHEMBL31410 Lopac-R-104 MLS001332620 Prestwick3_000578 UNII-F5Z7C9RK8U (1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2'''',3'''':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester ACon1_002064 BRD-K06467078-003-03-7 D00GEE Methyl (16beta,17alpha)-17-hydroxyyohimban-16-carboxylate NCGC00016294-06 SCHEMBL178061 Yohimban-16beta-carboxylic acid, 17alpha-hydroxy-, methyl ester (8CI) 2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2'',3'':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester Bio1_000472 CHEBI:92122 GTPL5345 methyl hydroxy[?]carboxylate Prestwick1_000578 SPBio_002615 6613AF BLGXFZZNTVWLAY-DKJBZYCGSA-N Corynanthin Lopac-Y-3125 NCGC00015878-01 Rauhimbin Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha)- (1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2'',3'':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester AKOS024282584 BSPBio_000396 EINECS 207-590-0 methyl (1S,15R,18S,19S,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate NSC 407306 SMP1_000080 ZINC3861548 [ Show all ]
Inchi Key	BLGXFZZNTVWLAY-DKJBZYCGSA-N
Inchi ID	InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1
PubChem CID	92766
ChEMBL	CHEMBL31410
IUPHAR	N/A
BindingDB	50027058
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	161.0 nM	PMID7562902	BindingDB,ChEMBL

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