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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02129729

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.73
GUNGUANINEA,B1IT70.7
GUNGUANINEA,B,C,D3BP10.7
GUNGUANINEA1XT40.7
GUNGUANINEA1ULB0.7
GUNGUANINEA,B2I9U0.7
GUNGUANINEA2JH90.7
GUNGUANINEE1V2H0.7
GUNGUANINEA2JHA0.7
GUNGUANINEA,B,C,D1A950.7
GUNGUANINEA,B,C1XE70.7
GUNGUANINEA,B,C1YQQ0.7
GUNGUANINEA,B1D6A0.7
GUNGUANINEA1WET0.7
GUNGUANINEA2PUF0.7
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P		1SQL0.7
GUNGUANINEA,B,C1VMK0.7
GUNGUANINEA,B,C1YQU0.7
GUNGUANINEA2JHC0.7
GUNGUANINEA2JH80.7
GUNGUANINEA2JHP0.7
GUNGUANINEA2PUC0.7
GUNGUANINEA,B,C,D,E,F,
G,H		1XY30.7
GUNGUANINEA,B,C,D,E,F2O740.7
GUNGUANINEA2PWU0.7
GUNGUANINEA2OOD0.7
GUNGUANINEA2POT0.7
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.8
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.86
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.86
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.86
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.86
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.86
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.86
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.86
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.86
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.86
ARP9-HYDROXYPROPYLADENINE, R-ISOMERA,B1E2I0.7
37TTHEOBROMINEA2EFJ0.86
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.82
E1XPHOSPHORIC ACID MONO-[5-(1-ETHYL-
2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-
9-YL)-3-HYDROXY-TETRAHYDRO-FURAN-
2-YLMETHYL]ESTER		C,E1T390.72
APS9-HYDROXYPROPYLADENINE, S-ISOMERA,B1E2I0.7
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.81
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.75
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.83
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.76
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.78
CFFCAFFEINEA,B1L5Q0.85
CFFCAFFEINEA,B2A3B0.85
CFFCAFFEINEA,B1L7X0.85
CFFCAFFEINEA1GFZ0.85
CFFCAFFEINEA,B3DDW0.85
CFFCAFFEINEA,B3DD10.85
CFFCAFFEINEA,B3DDS0.85
CFFCAFFEINEA1C8L0.85
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.75
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.75
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.81
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.74
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.79
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE		A,C,E,G2EG50.76
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A,B1AC90.71
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A2F3T0.71
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.83
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU30.73
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU00.73
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.7
TEPTHEOPHYLLINEA1EHT0.81
TEPTHEOPHYLLINEA,B2A3A0.81
TEPTHEOPHYLLINEA1O150.81
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
HPAHYPOXANTHINEA1PNR0.7
HPAHYPOXANTHINEA2EET0.7
HPAHYPOXANTHINEA2PUG0.7
HPAHYPOXANTHINEA1A9T0.7
HPAHYPOXANTHINEA1BDI0.7
HPAHYPOXANTHINEA1QQA0.7
HPAHYPOXANTHINEA1VFN0.7
HPAHYPOXANTHINEA1VPW0.7
HPAHYPOXANTHINEA2EEV0.7
HPAHYPOXANTHINEA1A9Q0.7
HPAHYPOXANTHINEA1A9R0.7
HPAHYPOXANTHINEA2EEU0.7
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W550.7
HPAHYPOXANTHINEA1JFT0.7
HPAHYPOXANTHINEA2EEW0.7
HPAHYPOXANTHINEA2PUD0.7
HPAHYPOXANTHINEA1QP70.7
HPAHYPOXANTHINEA,M1ZAY0.7
HPAHYPOXANTHINEA1JH90.7
HPAHYPOXANTHINEA2EES0.7
HPAHYPOXANTHINEA1JFS0.7
HPAHYPOXANTHINEA1QP00.7
HPAHYPOXANTHINEA1QPZ0.7
HPAHYPOXANTHINEA1U8D0.7
HPAHYPOXANTHINEA1QQB0.7
HPAHYPOXANTHINEA1BDH0.7
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W3R0.7
HPAHYPOXANTHINEA1QP40.7
HPAHYPOXANTHINEA,B,C3FNQ0.7
13A7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-
2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-
2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4S-ONE		A,B,C,D2B1G0.72
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.73
XANXANTHINEA3GAO0.78
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U		3EUB0.78
XANXANTHINEA,B,C,D,E,F1YR30.78
XANXANTHINEA2UZ90.78
XANXANTHINEA,B,C,D,E,F,
G,H		2W3S0.78
XANXANTHINEA,B,C,D1A960.78