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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	RUTIN
Molecular formula	C27H30O16
IUPAC name	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular weight	610.521
Hydrogen bond acceptor	16
Hydrogen bond donor	10
XlogP	-1.3
Synonyms	HMS502A06 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)methyl)tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one KS-00000KD1 3,3',4',5,5',7-Hexahydroxyflavone (6-O-alpha-L-rhamnosyl-beta-D-glucoside) MLS001424098 3-[[6-O-(6-Deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one Neoisorutin A8241DA0-6EC6-48BA-BD10-3F7BD61D42CE Quercetin 3-O-beta-D-rutinoside BDBM50217942 Quercetin, 3-(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranoside) BRD-K20482099-001-01-1 Rutabion CHEBI:28527 Rutin,(S) DB01698 Eldrin 153-18-4 Rutosido [INN-Spanish] SMR000112560 UNII-5G06TVY3R7 IDI1_000644 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one MCULE-7397273315 3,3,4,5,7-PENTAHYDROXYFLAVONE-3-RHAMNOGLUCOSIDE NC00249 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]-oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- Osyritrin ACon1_000075 quercetin 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside] BIDD:PXR0020 Quercetol 3-rhamnoglucoside C.I. 75730 Rutin (Rutoside) cid_5280805 Rutinion acid DSSTox_CID_2326 Globulariacitrin 18449-50-8 Rutozyd Tanrutin Venoruton (TN) Rutosid 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-ch J10274 207671-50-9 methyltetrahydro-2H-pyran-2-yloxy)methyl) 3-Rhamnoglucosylquercetin NCGC00160628-03 56764-99-9 Phytomelin AKOS015895432 Quercetin rhamnoglucosine Birutan Forte romen-4-one CCG-100999 Rutin, 97+% D08499 Rutinum DTXSID3022326 1416-01-9 Glucopyranoside, quercetin-3 6-O-alpha-L-rhamnopyranosyl-, beta-D Rutoside [INN:JAN:NF] SC-17389 Tox21_111945_1 Yunxianggan HY-N0148 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one LS-194242 3,3',4',5,7-PENTAHYDROXYFLAVONE-3-RHAMNOGLUCOSIDE MolPort-001-740-246 48197-72-4 NINDS_000644 AB00374708-09 Quercetin 3-O-beta-delta-rutinoside beta-Quercetin-3-rutinoside Quercetin-3-rutinoside BRD-K20482099-001-11-0 Rutine DivK1c_000644 Flavone, 3,3',4',5,7-pentahydroxy-, 3-(O-rhamnosylglucoside) 158560-09-9 Rutosidum SR-01000759399 USAF CF-5 IKGXIBQEEMLURG-NVPNHPEKSA-N 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE MEGxp0_000068 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one NCGC00160628-01 5-18-05-00519 (Beilstein Handbook Reference) Oxyritin AI3-19098 Quercetin 3-rhamnoglucoside Bioflavonoid Quercitin 3-rutinoside C05625 Rutin trihydrate CPD000112560 Rutinoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl DSSTox_GSID_22326 115888-40-9 Globularicitrin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3 s2350 tetrahydro-2H-pyran-2-yloxy)-4H-chromen-4-one Violaquercitrin rutoside 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one KBio1_000644 3'4'5,7-tetOH-Flavone-3-rut MLS000759398 3-Rutinosyl quercetin NCGC00260150-01 5G06TVY3R7 Q-201691 AN-44037 Quercetin, 3-(6-0-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside) Birutin RUT CCRIS 7564 Rutin, disposable screening library format D09ALJ EINECS 205-814-1 146525-66-8 HMS2051B06 Rutosido SCHEMBL23243 Tox21_202602 ZINC4096846 hydroxyethylrutoside 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one LS-194514 3,3',4',5,7-Pentahydroxyflavone-3-rutinoside Myrticolorin 4H-1-Benzopyran-4-one, 3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- NSC 9220 AC1NQXME Quercetin 3-O-rutinoside BIDD:ER0377 Quercetin-3beta-rutinoside BRN 0075455 RUTIN (95%) CHEMBL226335 Rutinic acid DS-9708 FT-0601605 164535-43-7 Rutosidum [INN-Latin] SR-01000759399-5 Venoruton 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)- Ilixanthin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-mannopyranoside Melin 3-Rhamnoglucoside of 3,3',4',5,7-pentahydroxyflavone NCGC00160628-02 523994-24-3 Paliuroside AK160322 Quercetin 3-rutinoside Birutan R0035 CAS-153-18-4 Rutin [JAN:NF] CS-5573 Rutinoside, quercetin-3, beta- DSSTox_RID_76549 1296849-98-3 Glucopyranoside, quercetin-3 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D- Rutoside (INN) SAM001246528 Tox21_111945 Vitamin P [ Show all ]
Inchi Key	IKGXIBQEEMLURG-NVPNHPEKSA-N
Inchi ID	InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
PubChem CID	5280805
ChEMBL	CHEMBL226335
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	9637.0 nM	PMID20408551	ChEMBL

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