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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03391568

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
37TTHEOBROMINEA2EFJ0.75
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.79
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.79
XANXANTHINEA3GAO0.8
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.8
XANXANTHINEA,B,C,D,E,F1YR30.8
XANXANTHINEA2UZ90.8
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.8
XANXANTHINEA,B,C,D1A960.8
HPAHYPOXANTHINEA1PNR0.83
HPAHYPOXANTHINEA2EET0.83
HPAHYPOXANTHINEA2PUG0.83
HPAHYPOXANTHINEA1A9T0.83
HPAHYPOXANTHINEA1BDI0.83
HPAHYPOXANTHINEA1QQA0.83
HPAHYPOXANTHINEA1VFN0.83
HPAHYPOXANTHINEA1VPW0.83
HPAHYPOXANTHINEA2EEV0.83
HPAHYPOXANTHINEA1A9Q0.83
HPAHYPOXANTHINEA1A9R0.83
HPAHYPOXANTHINEA2EEU0.83
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.83
HPAHYPOXANTHINEA1JFT0.83
HPAHYPOXANTHINEA2EEW0.83
HPAHYPOXANTHINEA2PUD0.83
HPAHYPOXANTHINEA1QP70.83
HPAHYPOXANTHINEA,M1ZAY0.83
HPAHYPOXANTHINEA1JH90.83
HPAHYPOXANTHINEA2EES0.83
HPAHYPOXANTHINEA1JFS0.83
HPAHYPOXANTHINEA1QP00.83
HPAHYPOXANTHINEA1QPZ0.83
HPAHYPOXANTHINEA1U8D0.83
HPAHYPOXANTHINEA1QQB0.83
HPAHYPOXANTHINEA1BDH0.83
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.83
HPAHYPOXANTHINEA1QP40.83
HPAHYPOXANTHINEA,B,C3FNQ0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.78
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.86
8IG8-IODO-GUANINEA,B,C1C3X0.74
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.75
ANG8-AMINOGUANINEA,C1M3Q0.75
ANG8-AMINOGUANINEA,E1LWV0.75
TEPTHEOPHYLLINEA1EHT0.8
TEPTHEOPHYLLINEA,B2A3A0.8
TEPTHEOPHYLLINEA1O150.8
CFFCAFFEINEA,B1L5Q0.74
CFFCAFFEINEA,B2A3B0.74
CFFCAFFEINEA,B1L7X0.74
CFFCAFFEINEA1GFZ0.74
CFFCAFFEINEA,B3DDW0.74
CFFCAFFEINEA,B3DD10.74
CFFCAFFEINEA,B3DDS0.74
CFFCAFFEINEA1C8L0.74
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.76
GUNGUANINEA,B1IT70.82
GUNGUANINEA,B,C,D3BP10.82
GUNGUANINEA1XT40.82
GUNGUANINEA1ULB0.82
GUNGUANINEA,B2I9U0.82
GUNGUANINEA2JH90.82
GUNGUANINEE1V2H0.82
GUNGUANINEA2JHA0.82
GUNGUANINEA,B,C,D1A950.82
GUNGUANINEA,B,C1XE70.82
GUNGUANINEA,B,C1YQQ0.82
GUNGUANINEA,B1D6A0.82
GUNGUANINEA1WET0.82
GUNGUANINEA2PUF0.82
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.82
GUNGUANINEA,B,C1VMK0.82
GUNGUANINEA,B,C1YQU0.82
GUNGUANINEA2JHC0.82
GUNGUANINEA2JH80.82
GUNGUANINEA2JHP0.82
GUNGUANINEA2PUC0.82
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.82
GUNGUANINEA,B,C,D,E,F2O740.82
GUNGUANINEA2PWU0.82
GUNGUANINEA2OOD0.82
GUNGUANINEA2POT0.82
BRG8-BROMOGUANINEA,E1LWW0.73