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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01064724

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2VA2'-(L-VALYL)AMINO-2'-DEOXYADENOSINEA1WNZ0.76
ETBEthyl Coenzyme AA3B300.72
O8M2-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]acetamide
A,B3DZ70.72
52H5'-O-{[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosineA,B3COW0.71
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA2ZTG0.7
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA1NJ60.7
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA2Z0K0.7
PPZ2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-
ETHANOL
A,B1I5V0.75
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
A3E5F0.72
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.7
VAAN-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONEA,B1IVS0.73
VAAN-[VALINYL]-N'-[ADENOSYL]-DIAMINOSUFONEA,B1GAX0.73
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.7
A8M5'-[(3-aminopropyl)(methyl)amino]-
5'-deoxy-8-methyladenosine
A,B3DZ20.71
CMXCARBOXYMETHYLDETHIA COENZYME *AA,B,C,D,E,F2H120.7
CMXCARBOXYMETHYLDETHIA COENZYME *AA1CSI0.7
MCDMETHYLMALONYL(CARBADETHIA)-COENZYME AA,B,C,D5REQ0.7
YLY(2R)-2-AMINO-6-({[(2S,3R)-3-METHYLPYRROLIDIN-
2-YL]CARBONYL}AMINO)HEXANOYL [(2S,3R,4R,5R)-
5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-
2-YL]METHYL HYDROGEN (R)-PHOSPHATE
A2ZIM0.71
YLY(2R)-2-AMINO-6-({[(2S,3R)-3-METHYLPYRROLIDIN-
2-YL]CARBONYL}AMINO)HEXANOYL [(2S,3R,4R,5R)-
5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-
2-YL]METHYL HYDROGEN (R)-PHOSPHATE
A2Q7H0.71
PA7N-PROPYL CARBOXYAMIDO ADENOSINEA1U0Y0.74
PA7N-PROPYL CARBOXYAMIDO ADENOSINEA,B2GQP0.74
IHE6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-
1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE
A1U9V0.73
C8M3-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]propanamide
A,B3DZ40.74
ILAN-[ISOLEUCINYL]-N'-[ADENOSYL]-DIAMINOSUFONEA1JZQ0.74
54H5'-O-(D-valylsulfamoyl)adenosineA,B3COZ0.72
N5OA,B2HG10.73
P5A'5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINEA1NJ50.7
P5A'5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINEA,B2J3L0.7
ARX(2S,3S,4R,5R)-5-(6-amino-9H-purin-
9-yl)-N-(6-{[(1R)-4-carbamimidamido-
1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-
6-oxohexyl)-3,4-dihydroxytetrahydrofuran-
2-carboxamide
A3BWJ0.72
AMXAMIDOCARBOXYMETHYLDETHIA COENZYME *AA1CSH0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.72
VMS5'O-[N-(L-VALYL)SULPHAMOYL]ADENOSINEB1WK80.72
M021-(9H-purin-6-yl)piperidin-4-amineA2VNY0.7
A3SSERINE-3'-AMINOADENOSINEA2HL00.72
A3SSERINE-3'-AMINOADENOSINEA,B2HL10.72
A3SSERINE-3'-AMINOADENOSINEA1TKY0.72
M011-[1-(9H-purin-6-yl)piperidin-4-
yl]methanamine
A2VNW0.73
N5AA,B2HCH0.73
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B2AVN0.71
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA1XTP0.71
SAIS-ADENOSYL-L-HOMOSELENOCYSTEINEA,B1IM80.71
AYB5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosineA2ZIO0.7
DCADESULFO-COENZYME AA2XAT0.72
DCADESULFO-COENZYME AA,C1E1C0.72
DCADESULFO-COENZYME AA,B2OI70.72
DCADESULFO-COENZYME AA,B,C,D1REQ0.72
NECA1QY50.74
NECA1YSZ0.74
NECA,B1U2O0.74
NEI(2S,3S,4R,5R)-5-(6-AMINO-2-IODO-
9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN-
2-CARBOXAMIDE
A,B2H8M0.72
FAMALPHA-FLUORO-AMIDOCARBOXYMETHYLDETHIA COENZYME A COMPLEXA1CSR0.7
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.73
53H5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosineA,B3COY0.72