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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03205290

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.8
MG77-METHYLGUANOSINEA1EQA0.72
MG77-METHYLGUANOSINEA4DCG0.72
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,P3BQ10.73
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,T1JXL0.73
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,B1QSS0.73
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,P1T7P0.73
2FI2'-fluoro-2'-deoxyinosineE,G3CWT0.72
2FI2'-fluoro-2'-deoxyinosineE,G3CWS0.72
DGI2'-DEOXYGUANOSINE-5'-DIPHOSPHATEA,B2O080.7
DGI2'-DEOXYGUANOSINE-5'-DIPHOSPHATEA,B,C,D,E,F3B6B0.7
DGI2'-DEOXYGUANOSINE-5'-DIPHOSPHATEA,C1S590.7
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1DEK0.71
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA1RND0.71
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1DEL0.71
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1TLC0.71
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA2QCA0.71
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1OVF0.71
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L		1Q9X0.71
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEX1Z4P0.71
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,C2DWN0.71
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA2FC00.71
GNG2'-DEOXY-GUANOSINEA,B,C,D1NH30.75
GNG2'-DEOXY-GUANOSINEA,B3DS70.75
GNG2'-DEOXY-GUANOSINEA,B2ZI70.75
GNG2'-DEOXY-GUANOSINEA,B2A8G0.75
BRG8-BROMOGUANINEA,E1LWW0.79
2ND2'-DEOXYINOSINEA1Z390.74
GUNGUANINEA,B1IT70.86
GUNGUANINEA,B,C,D3BP10.86
GUNGUANINEA1XT40.86
GUNGUANINEA1ULB0.86
GUNGUANINEA,B2I9U0.86
GUNGUANINEA2JH90.86
GUNGUANINEE1V2H0.86
GUNGUANINEA2JHA0.86
GUNGUANINEA,B,C,D1A950.86
GUNGUANINEA,B,C1XE70.86
GUNGUANINEA,B,C1YQQ0.86
GUNGUANINEA,B1D6A0.86
GUNGUANINEA1WET0.86
GUNGUANINEA2PUF0.86
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P		1SQL0.86
GUNGUANINEA,B,C1VMK0.86
GUNGUANINEA,B,C1YQU0.86
GUNGUANINEA2JHC0.86
GUNGUANINEA2JH80.86
GUNGUANINEA2JHP0.86
GUNGUANINEA2PUC0.86
GUNGUANINEA,B,C,D,E,F,
G,H		1XY30.86
GUNGUANINEA,B,C,D,E,F2O740.86
GUNGUANINEA2PWU0.86
GUNGUANINEA2OOD0.86
GUNGUANINEA2POT0.86
G313'-METHYL-2',3'-DEOXY-GUANOSINE-
5'-MONOPHOSPHATE		A1D260.71
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.8
ANG8-AMINOGUANINEA,C1M3Q0.81
ANG8-AMINOGUANINEA,E1LWV0.81
TEPTHEOPHYLLINEA1EHT0.78
TEPTHEOPHYLLINEA,B2A3A0.78
TEPTHEOPHYLLINEA1O150.78
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.86
XGU2-AMINO-9-(2,3-DIDEOXY-6-O-PHOSPHONO-
BETA-D-ERYTHRO-HEXOPYRANOSYL)-1,9-
DIHYDRO-6H-PURIN-6-ONE		A,B2H9S0.7
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.75
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.73
TGPA,C1SC70.71
TGPA,C,D1K4T0.71
TGPA,C,D1T8I0.71
TGPA,C,D1SEU0.71
CFFCAFFEINEA,B1L5Q0.79
CFFCAFFEINEA,B2A3B0.79
CFFCAFFEINEA,B1L7X0.79
CFFCAFFEINEA1GFZ0.79
CFFCAFFEINEA,B3DDW0.79
CFFCAFFEINEA,B3DD10.79
CFFCAFFEINEA,B3DDS0.79
CFFCAFFEINEA1C8L0.79
PGN2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATEA,C1J9N0.72
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A,B1AC90.77
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A2F3T0.77
3PD2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-
1,9-DIHYDRO-6H-PURIN-6-ONE		A2DJH0.71
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.73
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.75
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU30.78
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU00.78
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.83
8IG8-IODO-GUANINEA,B,C1C3X0.79
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
GFH2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINEA,P2PXI0.71
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.84
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.84
G2SGUANOSINE-5'-DITHIOPHOSPHORATEA,B1K8L0.71
DFGA,B1FV70.71
DFGA,B1R4D0.71
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE		E1V3Q0.75
O2G2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINEA,B,C,D,E,F2W9C0.7
O2G2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINEA,B,C,D,E,F2W9B0.7
O2G2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINEA,P,T2W9A0.7
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.82
37TTHEOBROMINEA2EFJ0.82
S4GA,B2RMQ0.7
FMG2-amino-9-(2-deoxy-2-fluoro-5-O-
phosphono-beta-D-arabinofuranosyl)-
7-methyl-6-oxo-6,9-dihydro-1H-purin-
7-ium		E,G3D4V0.72
XUGA,B2H1M0.7
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.75
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.83
5CG5'-CHLORO-5'-DEOXY-GUANOSINEB,C,E,F,M,P1M5P0.71
G383'-AMINO-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A,B,C,D,E,F363D0.71
GFL2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-
PHOSPHONO-BETA-D-ARABINOFURANOSYL)-
1,9-DIHYDRO-6H-PURIN-6-ONE		A1FC80.73
HPAHYPOXANTHINEA1PNR0.86
HPAHYPOXANTHINEA2EET0.86
HPAHYPOXANTHINEA2PUG0.86
HPAHYPOXANTHINEA1A9T0.86
HPAHYPOXANTHINEA1BDI0.86
HPAHYPOXANTHINEA1QQA0.86
HPAHYPOXANTHINEA1VFN0.86
HPAHYPOXANTHINEA1VPW0.86
HPAHYPOXANTHINEA2EEV0.86
HPAHYPOXANTHINEA1A9Q0.86
HPAHYPOXANTHINEA1A9R0.86
HPAHYPOXANTHINEA2EEU0.86
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W550.86
HPAHYPOXANTHINEA1JFT0.86
HPAHYPOXANTHINEA2EEW0.86
HPAHYPOXANTHINEA2PUD0.86
HPAHYPOXANTHINEA1QP70.86
HPAHYPOXANTHINEA,M1ZAY0.86
HPAHYPOXANTHINEA1JH90.86
HPAHYPOXANTHINEA2EES0.86
HPAHYPOXANTHINEA1JFS0.86
HPAHYPOXANTHINEA1QP00.86
HPAHYPOXANTHINEA1QPZ0.86
HPAHYPOXANTHINEA1U8D0.86
HPAHYPOXANTHINEA1QQB0.86
HPAHYPOXANTHINEA1BDH0.86
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W3R0.86
HPAHYPOXANTHINEA1QP40.86
HPAHYPOXANTHINEA,B,C3FNQ0.86
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.83
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.83
GMPGUANOSINEA2GBH0.73
GMPGUANOSINEA1IH70.73
GMPGUANOSINEA2QVN0.73
GMPGUANOSINEA,B1WAF0.73
GMPGUANOSINEA,B,C,D,E,F1JE10.73
GMPGUANOSINEA3DMH0.73
GMPGUANOSINEE1RFG0.73
GMPGUANOSINEA2FQX0.73
GMPGUANOSINEA3CFO0.73
GMPGUANOSINEA,B2AN90.73
GMPGUANOSINEA,B,C,D,E,F1ODJ0.73
GN7N7-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA1GN70.71
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.85
DX42-amino-1,9-dihydro-6H-purine-6-
thione		A,B,C,D3BMG0.7
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.82
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,H2ATL0.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,H,J2AU00.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P2OZS0.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P1TK50.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T2OZM0.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,P1T050.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1TK00.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B1QSS0.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,E3GIM0.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HVH0.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H2ASJ0.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1ZYQ0.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HHW0.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E2HVI0.74
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J2ASD0.74
GMS2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATEA,B1VRO0.71
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