Aptamer-target interaction descriptor
Aptamer-target interaction information
Interaction ID: 631
Aptamer sequence: TACTGGGCTGGGCTTGGATTAGATCACAGTGGAACATACAGGACACACG
Target unique ID: 2724385
Aptamer ID Aptamer descriptor Target chemistry Target name Affinity Binding Conditions/Buffer PubMed ID
Apta_597 D3 Molecule Digoxin 6.4 nM 100 mM NaCl, 20 mM Tris-HCl (pH 7.6), 2 mM MgCl2, 5 mM KCl, 1 mM CaCl2, and 0.02% Tween 20 23021809
Structure information of aptamer
Aptamer Sequence: TACTGGGCTGGGCTTGGATTAGATCACAGTGGAACATACAGGACACACG
The optimal secondary structure in dot-bracket notation: (((((((((((.......)))).)).)))))..................
The centroid secondary structure in dot-bracket notation: ..(((.....................)))....................
The MFE structure
The Centroid structure
The mountain plot representation
Aptamer information
Type Detail Type Detail
Aptamer ID Apta_597 Description D3
Aptamer chemistry DNA Length 49 nt
GC content 51.0% Molecular weight 15,194.77 Da
Molarity of 1 μg/μl solution 65.81 μM Number of G-quadruplexes No QGRS found
G-Score N/A Function Aptasensor
Sequence TACTGGGCTGGGCTTGGATTAGATCACAGTGGAACATACAGGACACACG
Applications Recognition of digoxin
Target information
Type Detail Type Detail
PubChem ID 2724385 Molecular name Digoxin
Molecular formula C41H64O14 Molecular weight 780.9
IUPAC name 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one InChIKey LTMHDMANZUZIPE-PUGKRICDSA-N
LogP 2.218 Topological polar surface area 203.06
Hydrogen bond acceptor 14 Hydrogen bond donor 6

Synonym(s):
digoxin; 20830-75-5; Lanoxin; 12beta-Hydroxydigitoxin; Dilanacin; Lanoxicaps; Digacin; Davoxin; Digosin; Rougoxin; Cordioxil; Digoxin Pediatric; Lanicor; CHEBI:4551; MLS000069819; Cardiogoxin; Lanacordin; Dynamos; Eudigox; Lanacrist; Lenoxin; Mapluxin; SMR000059217; Vanoxin; Neo-Lanicor; (3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide; Digoxin Nativelle; Lanoxin PG; SK-Digoxin; UNII-73K4184T59; Homolle's digitalin; 20830-75-5 (free); C41H64O14; MFCD00003674; NSC 95100; NCGC00090797-03; 73K4184T59; DSSTox_CID_2934; Digoxin, analytical standard; DSSTox_RID_76794; Coragoxine; DSSTox_GSID_22934; Lenoxicaps; Neodioxanin; Cardigox; Cardioxin; Digomal; Fargoxin; Lanikor; Lanorale; Natigoxin; Purgoxin; 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; Dixina; Grexin; Digon; Dokim; Digitek; Digoxine; Chloroformic digitalin; Lanoxicaps (TN); [3H]digoxin; 4-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-(((2R,4S,5S,6R)-5-(((2S,4S,5S,6R)-5-(((2S,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-12,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one; 4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one; SMR000653537; Hemigoxine Nativelle; Lanoxin (TN); [3H]-digoxin; Acygoxin; Digoksyna; Digonix; Digossina; Digoxina; Digoxinum; Dimecip; Lifusin; Saroxin; Digos; Digoxin-Sandoz; Digoxina-Sandoz; Digoxin-Zori; NSC-95100; Digoxine Navtivelle; Novodigal [inj.]; 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydr; oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; Prestwick_170; Digoksyna [Polish]; Digossina [DCIT]; CAS-20830-75-5; 12A-Hydroxydigitoxin; 12?-Hydroxydigitoxin; 3b0w; LANOXIN PEDIATRIC; Digoxinum [INN-Latin]; 12bet.-Hydroxydigitoxin; Digoxigenin-tridigitoxosid; Digoxina [INN-Spanish]; Opera_ID_1134; Prestwick0_000437; Prestwick1_000437; Prestwick2_000437; Prestwick3_000437; Digoxin (JP17/USP); Epitope ID:122964; CHEMBL1751; BIDD:PXR0148; SCHEMBL20506; BSPBio_000454; MLS001055371; MLS001076495; SPBio_002393; BPBio1_000500; GTPL4725; GTPL4726; HSDB 214; Digoxin [USP:INN:BAN:JAN]; Digoxin 1.0 mg/ml in Methanol; DTXSID5022934; BDBM46355; cid_2724385; REGID_for_CID_2724385; HMS1569G16; HMS2096G16; HMS2232G20; HMS3713G16; Digoxigenin-tridigitoxosid [German]; HY-B1049; EINECS 244-068-1; Tox21_111025; Tox21_201678; Tox21_303050; s4290; AKOS015895113; AKOS024283494; ZINC242548690; CCG-220437; CS-4571; DB00390; MCULE-8165628529; BRN 0077011; NCGC00090797-01; NCGC00090797-02; NCGC00090797-04; NCGC00090797-05; NCGC00090797-06; NCGC00090797-07; NCGC00090797-09; NCGC00090797-12; NCGC00090797-15; NCGC00257022-01; NCGC00259227-01; AS-13281; Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-; H797; B7684; D1828; C06956; D00298; J10027; 5-18-04-00381 (Beilstein Handbook Reference); 830D755; A814956; Q422222; SR-01000721866; Digoxin, certified reference material, TraceCERT(R); J-013666; SR-01000721866-3; SR-01000721866-4; BRD-K23478508-001-03-7; Digoxin, European Pharmacopoeia (EP) Reference Standard; 0B9662A7-264E-4ACD-94B2-9E1138C0CA5A; Digoxin, United States Pharmacopeia (USP) Reference Standard; Digoxin, Pharmaceutical Secondary Standard; Certified Reference Material; 3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid; Digoxin for peak identification, European Pharmacopoeia (EP) Reference Standard; Digoxin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material; (3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide; 3-[(3S,5R,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-3-[(2R,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-12,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,; 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tet; 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[[(2R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,; 3beta-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12beta,14-dihydroxy-5beta-card-20(22)-enolide; 4-((1S,2S,5S,11S,15S,7R,10R,14R,16R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-me thyl(2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3 ,4,5,6-tetrahydropyran-2-yloxy)](4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5,6-te trahydropyran-2-yl; 4-[(3S,5R,8R,9S,10S,12R,13S,14S)-3-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-4,5-Dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyl-oxan-2-yl]oxy-4-hydroxy-6-methyl-oxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one; Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-; Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-; Card-20(22)-enolide, 3-[[O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl]oxy]-12,14-dihydroxy-, (3.beta.,5.beta.,12.beta.)-

Activity data

No relevant experimental diagram

Interaction ID 631
Target type Molecule
Target unique ID 2724385
Activity 6.4 nM
Binding Conditions/Buffer

100 mM NaCl, 20 mM Tris-HCl (pH 7.6), 2 mM MgCl2, 5 mM KCl, 1 mM CaCl2, and 0.02% Tween 20

Assay

N/A

PubMed ID 23021809
Similar aptamers
Aptamer ID Aptamer chemistry Sequence Similarity
Apta_179 DNA TCGGTTGAGTGAGATTAGTCAAATGTTTAGAAGACAACCTC 57.14%
Apta_746 DNA AGAGTGGGGGGGTGGGTGGATTTGACAGGTGGCATGCTGGAGAGT 57.14%
Apta_161 DNA GTGTGCAGATCTGATTGCCTGCGTCAACCTACATACAAC 55.10%
Apta_275 DNA AGTTGAATGGTGTGGTCACTTCCAGTCCCGCAGGGCACAC 55.10%
Apta_469 DNA CTGTAATTGGCGTATGTAACCCAGGCACCAAACACCCCAG 55.10%
Apta_471 DNA CTGTAATTGGCGTATGTAACCCAGGCACCAAACGCCCCAG 55.10%
Apta_947 DNA CATGGCTAGGTGTTTATTAATCCTGTAGGATTTGCGGAAT 55.10%
Apta_1095 DNA CCCTGAGGGGTGATGTGAATCCTAACAGTAAGGAGGAAGG 55.10%
Apta_1256 DNA GATCGGGTGTGGGTGGCGTAAAGGGAGCATCGGACA 55.10%
Apta_49 DNA CTTCCATGTTGAGGCGTTTATACCAGTTATCATCGGACTA 53.06%
Apta_167 DNA TGCTCCTTGGCCTTAGCCCTGGAACCATCAATCCTCTTCG 53.06%
Apta_273 DNA ATAAGCTGAGCATCTTAGATCCCCGTCAAGGGCAGCGTAA 53.06%
Apta_375 DNA TTGGGGAGGGGCACTGGGCAGTGTAATTTACGAAAGCGAG 53.06%
Apta_441 DNA TGAATCTCGCGCTCGTTGGTACCCTTAAAATAAAGGCATA 53.06%
Apta_468 DNA CTGTAATTGGCGTATGTAACCCAGGCACCAAACACCCCAT 53.06%
Apta_470 DNA CTGTAATTGGCGTATGTAACCCAGGCACCAAACACCTCAT 53.06%
Apta_818 DNA GGGCTGGCCAGATCAGACCCCGGATGATCATCCTTGTGAGAACCA 53.06%
Apta_850 DNA CACCAGTGTGTTGAGGTTTGAGCACACTGATAGAGTGTCA 53.06%
Apta_861 DNA CAGGTTGGTCTGGTTGGGTTTGGCTCCTGTGTACGCAACCTG 53.06%
Apta_912 DNA TAGTATGGACTTGTCTTCTTGTCAGAGTCTGGCAGCACGT 53.06%