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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02329329

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.71
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
XANXANTHINEA3GAO0.71
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.71
XANXANTHINEA,B,C,D,E,F1YR30.71
XANXANTHINEA2UZ90.71
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.71
XANXANTHINEA,B,C,D1A960.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.71
LUZpteridine-2,4(1H,3H)-dioneA,B,C,L,M,N3ETR0.78