Aptamer-target interaction descriptor
Aptamer-target interaction information
Interaction ID: 641
Aptamer sequence: CTCCTTCAACGAAGTGGGTCTCCTTCAACGAAGTGGGTCTC
Target unique ID: 446220
Aptamer ID Aptamer descriptor Target chemistry Target name Affinity Binding Conditions/Buffer PubMed ID
Apta_1023 CBSA-5335 Molecule Cocaine 36 μM 10% saliva in 10 mM Tris, 0.1 mM MgCl2, pH 7.4 28451157
Structure information of aptamer
Aptamer Sequence: CTCCTTCAACGAAGTGGGTCTCCTTCAACGAAGTGGGTCTC
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_1023 Description CBSA-5335
Aptamer chemistry DNA Length 41 nt
GC content 53.7% Molecular weight 12,552.06 Da
Molarity of 1 μg/μl solution 79.67 μM Number of G-quadruplexes No QGRS found
G-Score N/A Function Aptasensor
Sequence CTCCTTCAACGAAGTGGGTCTCCTTCAACGAAGTGGGTCTC
Applications Detection of cocaine within fifteen minutes at concentrations as low as 50 nM in 10% saliva without signal amplification
Target information
Type Detail Type Detail
PubChem ID 446220 Molecular name Cocaine
Molecular formula C17H21NO4 Molecular weight 303.35
IUPAC name methyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate InChIKey ZPUCINDJVBIVPJ-LJISPDSOSA-N
LogP 1.868 Topological polar surface area 55.84
Hydrogen bond acceptor 5 Hydrogen bond donor 0

Synonym(s):
cocaine; Kokain; Benzoylmethylecgonine; Neurocaine; Cocain; L-Cocaine; Cocaina; Coke; beta-Cocain; (-)-Cocaine; Methyl Benzoylecgonine; l-Cocain; Eritroxilina; Erytroxylin; Kokayeen; Bernies; Burese; Corine; Kokan; Leaf; Dama blanca; Pimp's drug; Cocaine free base; 1-Cocaine; White girl or lady; cocainum; Star-spangled powder; Cocaine, l-; 50-36-2; UNII-I5Y540LHVR; Bernice; Cholly; Cecil; Girl; Happy dust; Gold dust; Star dust; Ecgonine, methyl ester, benzoate (ester); CHEBI:27958; 2-beta-Carbomethoxy-3-beta-benzoxytropane; HSDB 6469; 3-Tropanylbenzoate-2-carboxylic acid methyl ester; I5Y540LHVR; (1R,2R,3S,5S)-2-Methoxycarbonyltropan-3-yl benzoate; 2-beta-Tropanecarboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate (ester); methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; Crack cocaine; Methyl 3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester); COC; Jam; Crack; Flake; Blow; Lady; Snow; Toot; Happy trails; Green gold; Nose candy; 1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate; 2-Methyl-3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester); 3-(Benzoyloxy)-8-methyl-8-azabicyclo-(3.2.1)octane-2-carboxylic acid methyl ether; 3beta-Hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylic acid methyl ester benzoate; methyl [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; Methyl 3-beta-hydroxy-1-alpha-H,5-alpha-H-tropane-2-beta-carboxylate benzoate (ester); C" Carrie; Blow [Street Name]; Girl [Street Name]; Lady [Street Name]; Rock [Street Name]; Toot [Street Name]; Cecil [Street Name]; Flake [Street Name]; Sleighride; Badrock; Bazooka; Bernice [Street Name]; Blizzard; Cabello; Charlie; Cocktail; Goofball; Moonrocks; Blast; Candy; Caviar; Freeze; Heaven; Snort; Trails; Coca; Cola; Hell; Toke; Yeyo; Bouncing Powder; Chicken Scratch; Happy powder; Florida Snow; Sweet Stuff; Gold dust [Street Name]; Prime Time; C Carrie; Happy dust [Street Name]; 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R-(exo,exo))-; Foo Foo; Kibbles n' Bits; methyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate; Snow (birds); G-Rock; [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid, methyl ester; methyl (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylate; Cholly [Street Name]; Cocaine [USP:BAN]; Star dust [Street Name]; Green gold [Street Name]; 2beta-Carbomethoxy-3beta-benzoxytropane; Happy trails [Street Name]; Line; EINECS 200-032-7; Cocaine (-); 1i7z; Epitope ID:158626; SCHEMBL21930; CHEMBL370805; GTPL2286; IDS-NC-004; DEA No. 9041; DTXSID2038443; BDBM22418; (1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-yl benzoate; 1q72; Cocaine 0.1 mg/ml in Acetonitrile; Cocaine 1.0 mg/ml in Acetonitrile; ZINC3875336; RX0041; AKOS015965554; DB00907; RX-0041; C01416; Q41576; (1R,5S,8R)-2beta-(Methoxycarbonyl)-3beta-(benzoyloxy)tropane; [1R-(exo,exo)]-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic Acid; Cocaine solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material; (1beta,5beta,8-anti)-3beta-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2beta-carboxylic acid methyl ester; 1-alpha-H,5-alpha-H-Tropane-2-beta-carboxylic acid, 3-beta-hydroxy-, methyl ester, benzoate (ester) (8CI); 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2R,3S,5S)- (9CI)

Activity data
Interaction ID 641
Target type Molecule
Target unique ID 446220
Activity 36 μM
Binding Conditions/Buffer

10% saliva in 10 mM Tris, 0.1 mM MgCl2, pH 7.4

Assay

Characterization of cocaine binding affinity of CBSA-5335 and PSA using ITC

PubMed ID 28451157
Similar aptamers
Aptamer ID Aptamer chemistry Sequence Similarity
Apta_1022 DNA CTCCTTCAACGAAGTGGGTTCCTTCAACGAAGTGGGTCTC
97.56%
Apta_556 DNA GGCTCTCGGGACGACATGGATTTTCCATCAACGAAGTGCGTCCGTCCC 62.50%
Apta_591 DNA CTCTCGGGACGACGGCTGGCACGTTTGGTTCAAGAATGTGGGTGTCGTCCC 58.82%
Apta_1012 DNA CACATTAGGGCGGGGTACTCCTATCACGTATGGGGGCCTGT 58.54%
Apta_593 DNA CTCTCGGGACGACAGCCGAGTTGATTCAACAGCCGAGTCGTCCC 56.82%
Apta_302 DNA ATCCTGTGAGGAATGCTCATGCATAGCAAGGGCT 56.10%
Apta_586 DNA GGGAGACAAGGAAAATCCTTCAATGAAGTGGGTCGACA 56.10%
Apta_1065 DNA CCTCGCTATGATGGAGTGCGTTTAGATCAGGGAACGGGTT 56.10%
Apta_32 DNA CGGTAAACTGCGTCCGAAGGGGCTGCAGTGACCCGAATGGGTCCG 55.56%
Apta_721 DNA CTCTCGGGACGACCGCGGTAGTCTTAACCTAAAGCGGTGTCAGGTCGTCCC 54.90%
Apta_722 DNA CTCTCGGGACGACGGCCCGATCTCAGAGTAGTCGTCCC 53.66%
Apta_987 DNA GTACTGTCAATTGGAAGTGGTGTTACGTTGTGTAGTCAAATCAGTGC 53.19%
Apta_697 DNA CTCTCGGGACGACGGACGCTAATCTTACAAGGGCGTAGTGTATGTCGTCCC 52.94%
Apta_60 DNA GGAATGAGTGCCCTGCAAGCGAGGGCTAGC 51.22%
Apta_240 DNA TTTTTAATTAAAGCTCGCCATCAAATAGCTTT 51.22%
Apta_252 DNA CCCTTACCTACTCTGCTCCCCCCCCCCCTCGGCTGC 51.22%
Apta_284 DNA CACTCCGTCACTTTAGTGGATCTTTATAAAACCGATGCTG 51.22%
Apta_473 DNA CCCTGCACTCGCAATGGCCCCTCTACACCACAAACGGACA 51.22%
Apta_577 DNA ACTTCAGTGAGTTGTCCCACGGTCGGCGAGTCGGTGGTAG 51.22%
Apta_648 DNA GCACACCGATGGCGGTCCTGTTTAGGGGGTGTGC 51.22%