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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02312566

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LUZpteridine-2,4(1H,3H)-dioneA,B,C,L,M,N3ETR0.83
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.72
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
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.71
37TTHEOBROMINEA2EFJ0.74
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.74
AMR3,5-DIAMINO-N-(AMINOIMINOMETHYL)-
6-CHLOROPYRAZINECARBOXAMIDE
A1F5L0.78
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
TEPTHEOPHYLLINEA1EHT0.71
TEPTHEOPHYLLINEA,B2A3A0.71
TEPTHEOPHYLLINEA1O150.71
CFFCAFFEINEA,B1L5Q0.72
CFFCAFFEINEA,B2A3B0.72
CFFCAFFEINEA,B1L7X0.72
CFFCAFFEINEA1GFZ0.72
CFFCAFFEINEA,B3DDW0.72
CFFCAFFEINEA,B3DD10.72
CFFCAFFEINEA,B3DDS0.72
CFFCAFFEINEA1C8L0.72