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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02292093

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.87
GUNGUANINEA,B1IT70.72
GUNGUANINEA,B,C,D3BP10.72
GUNGUANINEA1XT40.72
GUNGUANINEA1ULB0.72
GUNGUANINEA,B2I9U0.72
GUNGUANINEA2JH90.72
GUNGUANINEE1V2H0.72
GUNGUANINEA2JHA0.72
GUNGUANINEA,B,C,D1A950.72
GUNGUANINEA,B,C1XE70.72
GUNGUANINEA,B,C1YQQ0.72
GUNGUANINEA,B1D6A0.72
GUNGUANINEA1WET0.72
GUNGUANINEA2PUF0.72
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.72
GUNGUANINEA,B,C1VMK0.72
GUNGUANINEA,B,C1YQU0.72
GUNGUANINEA2JHC0.72
GUNGUANINEA2JH80.72
GUNGUANINEA2JHP0.72
GUNGUANINEA2PUC0.72
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.72
GUNGUANINEA,B,C,D,E,F2O740.72
GUNGUANINEA2PWU0.72
GUNGUANINEA2OOD0.72
GUNGUANINEA2POT0.72
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.86
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.84
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.76
XANXANTHINEA3GAO0.79
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.79
XANXANTHINEA,B,C,D,E,F1YR30.79
XANXANTHINEA2UZ90.79
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.79
XANXANTHINEA,B,C,D1A960.79
BRG8-BROMOGUANINEA,E1LWW0.7
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A2Z1W0.74
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A1N2V0.74
TEPTHEOPHYLLINEA1EHT0.83
TEPTHEOPHYLLINEA,B2A3A0.83
TEPTHEOPHYLLINEA1O150.83
8IG8-IODO-GUANINEA,B,C1C3X0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.71
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.71
CFFCAFFEINEA,B1L5Q0.78
CFFCAFFEINEA,B2A3B0.78
CFFCAFFEINEA,B1L7X0.78
CFFCAFFEINEA1GFZ0.78
CFFCAFFEINEA,B3DDW0.78
CFFCAFFEINEA,B3DD10.78
CFFCAFFEINEA,B3DDS0.78
CFFCAFFEINEA1C8L0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.83
ANG8-AMINOGUANINEA,C1M3Q0.72
ANG8-AMINOGUANINEA,E1LWV0.72
HPAHYPOXANTHINEA1PNR0.72
HPAHYPOXANTHINEA2EET0.72
HPAHYPOXANTHINEA2PUG0.72
HPAHYPOXANTHINEA1A9T0.72
HPAHYPOXANTHINEA1BDI0.72
HPAHYPOXANTHINEA1QQA0.72
HPAHYPOXANTHINEA1VFN0.72
HPAHYPOXANTHINEA1VPW0.72
HPAHYPOXANTHINEA2EEV0.72
HPAHYPOXANTHINEA1A9Q0.72
HPAHYPOXANTHINEA1A9R0.72
HPAHYPOXANTHINEA2EEU0.72
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.72
HPAHYPOXANTHINEA1JFT0.72
HPAHYPOXANTHINEA2EEW0.72
HPAHYPOXANTHINEA2PUD0.72
HPAHYPOXANTHINEA1QP70.72
HPAHYPOXANTHINEA,M1ZAY0.72
HPAHYPOXANTHINEA1JH90.72
HPAHYPOXANTHINEA2EES0.72
HPAHYPOXANTHINEA1JFS0.72
HPAHYPOXANTHINEA1QP00.72
HPAHYPOXANTHINEA1QPZ0.72
HPAHYPOXANTHINEA1U8D0.72
HPAHYPOXANTHINEA1QQB0.72
HPAHYPOXANTHINEA1BDH0.72
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.72
HPAHYPOXANTHINEA1QP40.72
HPAHYPOXANTHINEA,B,C3FNQ0.72
37TTHEOBROMINEA2EFJ0.79
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.74
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.74