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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01064847

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NECA1QY50.71
NECA1YSZ0.71
NECA,B1U2O0.71
EH9(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-
2-ol
A2Z7G0.7
C8M3-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]propanamide
A,B3DZ40.72
53H5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosineA,B3COY0.71
VAAN-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONEA,B1IVS0.73
VAAN-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONEA,B1GAX0.73
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B2AVN0.7
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA1XTP0.7
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B1IM80.7
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.78
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.71
A3SSERINE-3'-AMINOADENOSINEA2HL00.71
A3SSERINE-3'-AMINOADENOSINEA,B2HL10.71
A3SSERINE-3'-AMINOADENOSINEA1TKY0.71
EEM[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-
[[(2S,3S,4R,5R)-5-(6-aminopurin-
9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-
methyl-selanium
A3E5F0.71
N5AA,B2HCH0.7
54H5'-O-(D-valylsulfamoyl)adenosineA,B3COZ0.72
O8M2-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]acetamide
A,B3DZ70.71
PA7N-PROPYL CARBOXYAMIDO ADENOSINEA1U0Y0.71
PA7N-PROPYL CARBOXYAMIDO ADENOSINEA,B2GQP0.71
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.73
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.76
52H5'-O-{[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosineA,B3COW0.7
ILAN-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONEA1JZQ0.73
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.77
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.75
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA,B,C2C4T0.7
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA1Z3C0.7
SA8S-5'-AZAMETHIONINE-5'-DEOXYADENOSINEA,B,C2H2E0.7
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.71
VMS5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINEB1WK80.72
2VA2'-(L-VALYL)AMINO-2'-DEOXYADENOSINEA1WNZ0.75
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.71
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine
A,B3DZ20.7
N5OA,B2HG10.7
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.75