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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03289713

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANG8-AMINOGUANINEA,C1M3Q0.8
ANG8-AMINOGUANINEA,E1LWV0.8
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.7
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.7
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.92
8IG8-IODO-GUANINEA,B,C1C3X0.78
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.71
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A2Z1W0.71
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A1N2V0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.73
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.73
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.72
BRG8-BROMOGUANINEA,E1LWW0.78
HPAHYPOXANTHINEA1PNR0.89
HPAHYPOXANTHINEA2EET0.89
HPAHYPOXANTHINEA2PUG0.89
HPAHYPOXANTHINEA1A9T0.89
HPAHYPOXANTHINEA1BDI0.89
HPAHYPOXANTHINEA1QQA0.89
HPAHYPOXANTHINEA1VFN0.89
HPAHYPOXANTHINEA1VPW0.89
HPAHYPOXANTHINEA2EEV0.89
HPAHYPOXANTHINEA1A9Q0.89
HPAHYPOXANTHINEA1A9R0.89
HPAHYPOXANTHINEA2EEU0.89
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.89
HPAHYPOXANTHINEA1JFT0.89
HPAHYPOXANTHINEA2EEW0.89
HPAHYPOXANTHINEA2PUD0.89
HPAHYPOXANTHINEA1QP70.89
HPAHYPOXANTHINEA,M1ZAY0.89
HPAHYPOXANTHINEA1JH90.89
HPAHYPOXANTHINEA2EES0.89
HPAHYPOXANTHINEA1JFS0.89
HPAHYPOXANTHINEA1QP00.89
HPAHYPOXANTHINEA1QPZ0.89
HPAHYPOXANTHINEA1U8D0.89
HPAHYPOXANTHINEA1QQB0.89
HPAHYPOXANTHINEA1BDH0.89
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.89
HPAHYPOXANTHINEA1QP40.89
HPAHYPOXANTHINEA,B,C3FNQ0.89
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.73
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.73
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.7
XANXANTHINEA3GAO0.85
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.85
XANXANTHINEA,B,C,D,E,F1YR30.85
XANXANTHINEA2UZ90.85
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.85
XANXANTHINEA,B,C,D1A960.85
GUNGUANINEA,B1IT70.87
GUNGUANINEA,B,C,D3BP10.87
GUNGUANINEA1XT40.87
GUNGUANINEA1ULB0.87
GUNGUANINEA,B2I9U0.87
GUNGUANINEA2JH90.87
GUNGUANINEE1V2H0.87
GUNGUANINEA2JHA0.87
GUNGUANINEA,B,C,D1A950.87
GUNGUANINEA,B,C1XE70.87
GUNGUANINEA,B,C1YQQ0.87
GUNGUANINEA,B1D6A0.87
GUNGUANINEA1WET0.87
GUNGUANINEA2PUF0.87
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.87
GUNGUANINEA,B,C1VMK0.87
GUNGUANINEA,B,C1YQU0.87
GUNGUANINEA2JHC0.87
GUNGUANINEA2JH80.87
GUNGUANINEA2JHP0.87
GUNGUANINEA2PUC0.87
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.87
GUNGUANINEA,B,C,D,E,F2O740.87
GUNGUANINEA2PWU0.87
GUNGUANINEA2OOD0.87
GUNGUANINEA2POT0.87
37TTHEOBROMINEA2EFJ0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.82
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.7
CFFCAFFEINEA,B1L5Q0.78
CFFCAFFEINEA,B2A3B0.78
CFFCAFFEINEA,B1L7X0.78
CFFCAFFEINEA1GFZ0.78
CFFCAFFEINEA,B3DDW0.78
CFFCAFFEINEA,B3DD10.78
CFFCAFFEINEA,B3DDS0.78
CFFCAFFEINEA1C8L0.78
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.7
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.82
TEPTHEOPHYLLINEA1EHT0.87
TEPTHEOPHYLLINEA,B2A3A0.87
TEPTHEOPHYLLINEA1O150.87
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.8
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.84
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.84