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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02815440

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.77
TEPTHEOPHYLLINEA1EHT0.73
TEPTHEOPHYLLINEA,B2A3A0.73
TEPTHEOPHYLLINEA1O150.73
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.7
CFFCAFFEINEA,B1L5Q0.79
CFFCAFFEINEA,B2A3B0.79
CFFCAFFEINEA,B1L7X0.79
CFFCAFFEINEA1GFZ0.79
CFFCAFFEINEA,B3DDW0.79
CFFCAFFEINEA,B3DD10.79
CFFCAFFEINEA,B3DDS0.79
CFFCAFFEINEA1C8L0.79
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.89
37TTHEOBROMINEA2EFJ0.76
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.89