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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03551464

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.74
TEPTHEOPHYLLINEA1EHT0.78
TEPTHEOPHYLLINEA,B2A3A0.78
TEPTHEOPHYLLINEA1O150.78
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.75
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.7
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.7
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.78
CHQCYCLO-(L-HISTIDINE-L-PROLINE) INHIBITORA,B1W1T0.75
CFFCAFFEINEA,B1L5Q0.75
CFFCAFFEINEA,B2A3B0.75
CFFCAFFEINEA,B1L7X0.75
CFFCAFFEINEA1GFZ0.75
CFFCAFFEINEA,B3DDW0.75
CFFCAFFEINEA,B3DD10.75
CFFCAFFEINEA,B3DDS0.75
CFFCAFFEINEA1C8L0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.79
EA13H-IMIDAZO[2,1-I]PURINEA,B1PU80.71
XANXANTHINEA3GAO0.75
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.75
XANXANTHINEA,B,C,D,E,F1YR30.75
XANXANTHINEA2UZ90.75
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.75
XANXANTHINEA,B,C,D1A960.75
37TTHEOBROMINEA2EFJ0.76
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.78
LUZpteridine-2,4(1H,3H)-dioneA,B,C,L,M,N3ETR0.72