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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02670772

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.73
37TTHEOBROMINEA2EFJ0.72
NEUL-NEOPTERINA2O900.73
NEUL-NEOPTERINA,B,C,D2NM20.73
HHR6-HYDROXYMETHYLPTERINA3H4A0.84
HHR6-HYDROXYMETHYLPTERINA,B1TMM0.84
HHR6-HYDROXYMETHYLPTERINA1RU20.84
HHR6-HYDROXYMETHYLPTERINA,B,C,D,E,F,
G,H
2W540.84
PMMPTERIN-6-YL-METHYL-MONOPHOSPHATEA1EYE0.83
PMMPTERIN-6-YL-METHYL-MONOPHOSPHATEA2BMB0.83
PMMPTERIN-6-YL-METHYL-MONOPHOSPHATEA2VEG0.83
PMMPTERIN-6-YL-METHYL-MONOPHOSPHATEA,B1TWZ0.83
BIOBIOPTERINA1SEP0.76
BIOBIOPTERINA,B2A0S0.76
BIOBIOPTERINA,B,C1Y130.76
BIOBIOPTERINA,B1B660.76
BIOBIOPTERINA,B,C,D2BD00.76
MPUD-MONAPTERINA2NM30.73
LUZpteridine-2,4(1H,3H)-dioneA,B,C,L,M,N3ETR0.85
NEONEOPTERINA1BR50.73
CFFCAFFEINEA,B1L5Q0.7
CFFCAFFEINEA,B2A3B0.7
CFFCAFFEINEA,B1L7X0.7
CFFCAFFEINEA1GFZ0.7
CFFCAFFEINEA,B3DDW0.7
CFFCAFFEINEA,B3DD10.7
CFFCAFFEINEA,B3DDS0.7
CFFCAFFEINEA1C8L0.7
HH26-HYDROXYMETHYLPTERIN-DIPHOSPHATEA,B1AD40.82
HH26-HYDROXYMETHYLPTERIN-DIPHOSPHATEA1RAO0.82
HH26-HYDROXYMETHYLPTERIN-DIPHOSPHATEA,B2DZB0.82
HH26-HYDROXYMETHYLPTERIN-DIPHOSPHATEA,B1TWW0.82
HH26-HYDROXYMETHYLPTERIN-DIPHOSPHATEA1RB00.82
HHS6-CARBOXYPTERINA3H4A0.83