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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03386747

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A,B1AC90.75
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A2F3T0.75
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.84
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.86
BRG8-BROMOGUANINEA,E1LWW0.81
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
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.81
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.81
HHS6-CARBOXYPTERINA3H4A0.72
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.82
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.82
ANG8-AMINOGUANINEA,C1M3Q0.83
ANG8-AMINOGUANINEA,E1LWV0.83
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE
A2JJA0.79
5CG5'-CHLORO-5'-DEOXY-GUANOSINEB,C,E,F,M,P1M5P0.7
GNG2'-DEOXY-GUANOSINEA,B,C,D1NH30.7
GNG2'-DEOXY-GUANOSINEA,B3DS70.7
GNG2'-DEOXY-GUANOSINEA,B2ZI70.7
GNG2'-DEOXY-GUANOSINEA,B2A8G0.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.89
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.89
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.89
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.89
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.89
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.89
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.89
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.89
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.89
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.71
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.77
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.73
CFFCAFFEINEA,B1L5Q0.73
CFFCAFFEINEA,B2A3B0.73
CFFCAFFEINEA,B1L7X0.73
CFFCAFFEINEA1GFZ0.73
CFFCAFFEINEA,B3DDW0.73
CFFCAFFEINEA,B3DD10.73
CFFCAFFEINEA,B3DDS0.73
CFFCAFFEINEA1C8L0.73
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
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,H2ATL0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,H,J2AU00.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P2OZS0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P1TK50.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T2OZM0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,P1T050.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1TK00.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B1QSS0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,E3GIM0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HVH0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H2ASJ0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1ZYQ0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HHW0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E2HVI0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J2ASD0.7
TEPTHEOPHYLLINEA1EHT0.8
TEPTHEOPHYLLINEA,B2A3A0.8
TEPTHEOPHYLLINEA1O150.8
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.83
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.76
MG77-METHYLGUANOSINEA1EQA0.71
MG77-METHYLGUANOSINEA4DCG0.71
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
E1V3Q0.73
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.73
GMPGUANOSINEA2GBH0.72
GMPGUANOSINEA1IH70.72
GMPGUANOSINEA2QVN0.72
GMPGUANOSINEA,B1WAF0.72
GMPGUANOSINEA,B,C,D,E,F1JE10.72
GMPGUANOSINEA3DMH0.72
GMPGUANOSINEE1RFG0.72
GMPGUANOSINEA2FQX0.72
GMPGUANOSINEA3CFO0.72
GMPGUANOSINEA,B2AN90.72
GMPGUANOSINEA,B,C,D,E,F1ODJ0.72
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.76
37TTHEOBROMINEA2EFJ0.76
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.71
8IG8-IODO-GUANINEA,B,C1C3X0.82
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.78
2ND2'-DEOXYINOSINEA1Z390.71
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.89
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.8
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.8
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.8
GUNGUANINEA,B1IT70.9
GUNGUANINEA,B,C,D3BP10.9
GUNGUANINEA1XT40.9
GUNGUANINEA1ULB0.9
GUNGUANINEA,B2I9U0.9
GUNGUANINEA2JH90.9
GUNGUANINEE1V2H0.9
GUNGUANINEA2JHA0.9
GUNGUANINEA,B,C,D1A950.9
GUNGUANINEA,B,C1XE70.9
GUNGUANINEA,B,C1YQQ0.9
GUNGUANINEA,B1D6A0.9
GUNGUANINEA1WET0.9
GUNGUANINEA2PUF0.9
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.9
GUNGUANINEA,B,C1VMK0.9
GUNGUANINEA,B,C1YQU0.9
GUNGUANINEA2JHC0.9
GUNGUANINEA2JH80.9
GUNGUANINEA2JHP0.9
GUNGUANINEA2PUC0.9
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.9
GUNGUANINEA,B,C,D,E,F2O740.9
GUNGUANINEA2PWU0.9
GUNGUANINEA2OOD0.9
GUNGUANINEA2POT0.9