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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02823509

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.8
XANXANTHINEA3GAO0.83
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.83
XANXANTHINEA,B,C,D,E,F1YR30.83
XANXANTHINEA2UZ90.83
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.83
XANXANTHINEA,B,C,D1A960.83
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.91
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.74
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.71
TEPTHEOPHYLLINEA1EHT0.86
TEPTHEOPHYLLINEA,B2A3A0.86
TEPTHEOPHYLLINEA1O150.86
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.74
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.74
8IG8-IODO-GUANINEA,B,C1C3X0.74
CFFCAFFEINEA,B1L5Q0.81
CFFCAFFEINEA,B2A3B0.81
CFFCAFFEINEA,B1L7X0.81
CFFCAFFEINEA1GFZ0.81
CFFCAFFEINEA,B3DDW0.81
CFFCAFFEINEA,B3DD10.81
CFFCAFFEINEA,B3DDS0.81
CFFCAFFEINEA1C8L0.81
GUNGUANINEA,B1IT70.74
GUNGUANINEA,B,C,D3BP10.74
GUNGUANINEA1XT40.74
GUNGUANINEA1ULB0.74
GUNGUANINEA,B2I9U0.74
GUNGUANINEA2JH90.74
GUNGUANINEE1V2H0.74
GUNGUANINEA2JHA0.74
GUNGUANINEA,B,C,D1A950.74
GUNGUANINEA,B,C1XE70.74
GUNGUANINEA,B,C1YQQ0.74
GUNGUANINEA,B1D6A0.74
GUNGUANINEA1WET0.74
GUNGUANINEA2PUF0.74
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.74
GUNGUANINEA,B,C1VMK0.74
GUNGUANINEA,B,C1YQU0.74
GUNGUANINEA2JHC0.74
GUNGUANINEA2JH80.74
GUNGUANINEA2JHP0.74
GUNGUANINEA2PUC0.74
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.74
GUNGUANINEA,B,C,D,E,F2O740.74
GUNGUANINEA2PWU0.74
GUNGUANINEA2OOD0.74
GUNGUANINEA2POT0.74
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.74
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.72
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.78
ANG8-AMINOGUANINEA,C1M3Q0.75
ANG8-AMINOGUANINEA,E1LWV0.75
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.71
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.87
HPAHYPOXANTHINEA1PNR0.74
HPAHYPOXANTHINEA2EET0.74
HPAHYPOXANTHINEA2PUG0.74
HPAHYPOXANTHINEA1A9T0.74
HPAHYPOXANTHINEA1BDI0.74
HPAHYPOXANTHINEA1QQA0.74
HPAHYPOXANTHINEA1VFN0.74
HPAHYPOXANTHINEA1VPW0.74
HPAHYPOXANTHINEA2EEV0.74
HPAHYPOXANTHINEA1A9Q0.74
HPAHYPOXANTHINEA1A9R0.74
HPAHYPOXANTHINEA2EEU0.74
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.74
HPAHYPOXANTHINEA1JFT0.74
HPAHYPOXANTHINEA2EEW0.74
HPAHYPOXANTHINEA2PUD0.74
HPAHYPOXANTHINEA1QP70.74
HPAHYPOXANTHINEA,M1ZAY0.74
HPAHYPOXANTHINEA1JH90.74
HPAHYPOXANTHINEA2EES0.74
HPAHYPOXANTHINEA1JFS0.74
HPAHYPOXANTHINEA1QP00.74
HPAHYPOXANTHINEA1QPZ0.74
HPAHYPOXANTHINEA1U8D0.74
HPAHYPOXANTHINEA1QQB0.74
HPAHYPOXANTHINEA1BDH0.74
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.74
HPAHYPOXANTHINEA1QP40.74
HPAHYPOXANTHINEA,B,C3FNQ0.74
37TTHEOBROMINEA2EFJ0.83
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.77
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.77
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A2Z1W0.77
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A1N2V0.77
BRG8-BROMOGUANINEA,E1LWW0.73
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.9