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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02516255

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.72
HHS6-CARBOXYPTERINA3H4A0.7
LUZpteridine-2,4(1H,3H)-dioneA,B,C,L,M,N3ETR0.82
TEPTHEOPHYLLINEA1EHT0.7
TEPTHEOPHYLLINEA,B2A3A0.7
TEPTHEOPHYLLINEA1O150.7
CFFCAFFEINEA,B1L5Q0.71
CFFCAFFEINEA,B2A3B0.71
CFFCAFFEINEA,B1L7X0.71
CFFCAFFEINEA1GFZ0.71
CFFCAFFEINEA,B3DDW0.71
CFFCAFFEINEA,B3DD10.71
CFFCAFFEINEA,B3DDS0.71
CFFCAFFEINEA1C8L0.71
37TTHEOBROMINEA2EFJ0.72
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.75
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.7
HHR6-HYDROXYMETHYLPTERINA3H4A0.7
HHR6-HYDROXYMETHYLPTERINA,B1TMM0.7
HHR6-HYDROXYMETHYLPTERINA1RU20.7
HHR6-HYDROXYMETHYLPTERINA,B,C,D,E,F,
G,H
2W540.7