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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02396070

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XANXANTHINEA3GAO0.82
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U		3EUB0.82
XANXANTHINEA,B,C,D,E,F1YR30.82
XANXANTHINEA2UZ90.82
XANXANTHINEA,B,C,D,E,F,
G,H		2W3S0.82
XANXANTHINEA,B,C,D1A960.82
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.73
ANG8-AMINOGUANINEA,C1M3Q0.82
ANG8-AMINOGUANINEA,E1LWV0.82
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.75
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.84
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.76
2906-methyl-3,9-dihydro-2H-purin-2-
one		A,B,C,I,J,K3B9J0.7
37TTHEOBROMINEA2EFJ0.78
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.74
BRG8-BROMOGUANINEA,E1LWW0.8
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.74
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.75
GUNGUANINEA,B1IT70.89
GUNGUANINEA,B,C,D3BP10.89
GUNGUANINEA1XT40.89
GUNGUANINEA1ULB0.89
GUNGUANINEA,B2I9U0.89
GUNGUANINEA2JH90.89
GUNGUANINEE1V2H0.89
GUNGUANINEA2JHA0.89
GUNGUANINEA,B,C,D1A950.89
GUNGUANINEA,B,C1XE70.89
GUNGUANINEA,B,C1YQQ0.89
GUNGUANINEA,B1D6A0.89
GUNGUANINEA1WET0.89
GUNGUANINEA2PUF0.89
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P		1SQL0.89
GUNGUANINEA,B,C1VMK0.89
GUNGUANINEA,B,C1YQU0.89
GUNGUANINEA2JHC0.89
GUNGUANINEA2JH80.89
GUNGUANINEA2JHP0.89
GUNGUANINEA2PUC0.89
GUNGUANINEA,B,C,D,E,F,
G,H		1XY30.89
GUNGUANINEA,B,C,D,E,F2O740.89
GUNGUANINEA2PWU0.89
GUNGUANINEA2OOD0.89
GUNGUANINEA2POT0.89
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU30.86
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU00.86
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
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.79
CFFCAFFEINEA,B1L5Q0.75
CFFCAFFEINEA,B2A3B0.75
CFFCAFFEINEA,B1L7X0.75
CFFCAFFEINEA1GFZ0.75
CFFCAFFEINEA,B3DDW0.75
CFFCAFFEINEA,B3DD10.75
CFFCAFFEINEA,B3DDS0.75
CFFCAFFEINEA1C8L0.75
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.79
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.74
8IG8-IODO-GUANINEA,B,C1C3X0.81
DX42-amino-1,9-dihydro-6H-purine-6-
thione		A,B,C,D3BMG0.75
TEPTHEOPHYLLINEA1EHT0.83
TEPTHEOPHYLLINEA,B2A3A0.83
TEPTHEOPHYLLINEA1O150.83
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.76
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A,B1AC90.71
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A2F3T0.71
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.77
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.77