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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02396113

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BRG8-BROMOGUANINEA,E1LWW0.76
IDPINOSINE-5'-DIPHOSPHATEL1MRD0.7
CFFCAFFEINEA,B1L5Q0.8
CFFCAFFEINEA,B2A3B0.8
CFFCAFFEINEA,B1L7X0.8
CFFCAFFEINEA1GFZ0.8
CFFCAFFEINEA,B3DDW0.8
CFFCAFFEINEA,B3DD10.8
CFFCAFFEINEA,B3DDS0.8
CFFCAFFEINEA1C8L0.8
G383'-AMINO-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A,B,C,D,E,F363D0.73
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.8
GNG2'-DEOXY-GUANOSINEA,B,C,D1NH30.73
GNG2'-DEOXY-GUANOSINEA,B3DS70.73
GNG2'-DEOXY-GUANOSINEA,B2ZI70.73
GNG2'-DEOXY-GUANOSINEA,B2A8G0.73
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU30.76
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU00.76
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.76
8IG8-IODO-GUANINEA,B,C1C3X0.77
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
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.87
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.85
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.83
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.83
HPAHYPOXANTHINEA1PNR0.87
HPAHYPOXANTHINEA2EET0.87
HPAHYPOXANTHINEA2PUG0.87
HPAHYPOXANTHINEA1A9T0.87
HPAHYPOXANTHINEA1BDI0.87
HPAHYPOXANTHINEA1QQA0.87
HPAHYPOXANTHINEA1VFN0.87
HPAHYPOXANTHINEA1VPW0.87
HPAHYPOXANTHINEA2EEV0.87
HPAHYPOXANTHINEA1A9Q0.87
HPAHYPOXANTHINEA1A9R0.87
HPAHYPOXANTHINEA2EEU0.87
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W550.87
HPAHYPOXANTHINEA1JFT0.87
HPAHYPOXANTHINEA2EEW0.87
HPAHYPOXANTHINEA2PUD0.87
HPAHYPOXANTHINEA1QP70.87
HPAHYPOXANTHINEA,M1ZAY0.87
HPAHYPOXANTHINEA1JH90.87
HPAHYPOXANTHINEA2EES0.87
HPAHYPOXANTHINEA1JFS0.87
HPAHYPOXANTHINEA1QP00.87
HPAHYPOXANTHINEA1QPZ0.87
HPAHYPOXANTHINEA1U8D0.87
HPAHYPOXANTHINEA1QQB0.87
HPAHYPOXANTHINEA1BDH0.87
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W3R0.87
HPAHYPOXANTHINEA1QP40.87
HPAHYPOXANTHINEA,B,C3FNQ0.87
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.79
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.76
5CG5'-CHLORO-5'-DEOXY-GUANOSINEB,C,E,F,M,P1M5P0.7
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.84
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.75
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.84
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,P3BQ10.72
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,T1JXL0.72
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,B1QSS0.72
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,P1T7P0.72
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A277D0.7
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A427D0.7
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A1D330.7
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A1QDA0.7
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A,B381D0.7
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A278D0.7
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A,B380D0.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.85
IMPINOSINIC ACIDA1KKB0.7
IMPINOSINIC ACIDA1FTQ0.7
IMPINOSINIC ACIDA,B1JR10.7
IMPINOSINIC ACIDA,B,C,D1LRT0.7
IMPINOSINIC ACIDA1ZFJ0.7
IMPINOSINIC ACIDA,B1YFZ0.7
IMPINOSINIC ACIDA,B1IWE0.7
IMPINOSINIC ACIDA2PRJ0.7
IMPINOSINIC ACIDA,B,C,D,E,F,
G,H		2J4E0.7
IMPINOSINIC ACIDA2YWU0.7
IMPINOSINIC ACIDA,B,C,D,E,F,
G,H		2BZN0.7
IMPINOSINIC ACIDA,B,C,D1QK40.7
IMPINOSINIC ACIDA,B,C,D2NTK0.7
IMPINOSINIC ACIDA2SKC0.7
IMPINOSINIC ACIDA1G9S0.7
IMPINOSINIC ACIDA,B,C,D1P170.7
IMPINOSINIC ACIDA2QN70.7
IMPINOSINIC ACIDA2SKE0.7
IMPINOSINIC ACIDA1KKF0.7
IMPINOSINIC ACIDA,B,C,D1ABB0.7
IMPINOSINIC ACIDA1B4D0.7
IMPINOSINIC ACIDA1GG80.7
IMPINOSINIC ACIDA1GIN0.7
IMPINOSINIC ACIDA1KJX0.7
IMPINOSINIC ACIDA,B2DVN0.7
IMPINOSINIC ACIDA2PYU0.7
IMPINOSINIC ACIDA2QN90.7
IMPINOSINIC ACIDA1ME90.7
IMPINOSINIC ACIDA1GFZ0.7
IMPINOSINIC ACIDA1GIM0.7
IMPINOSINIC ACIDA,B,C,D1P190.7
IMPINOSINIC ACIDA1CH80.7
IMPINOSINIC ACIDA1MEH0.7
IMPINOSINIC ACIDA,B1Z6D0.7
IMPINOSINIC ACIDA,B,C,D,E,F,
G,H		1CE80.7
IMPINOSINIC ACIDA2SKD0.7
IMPINOSINIC ACIDA,B,C,D,E,F,
G,H		2C6Q0.7
IMPINOSINIC ACIDA1CIB0.7
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.73
GUNGUANINEA,B1IT70.85
GUNGUANINEA,B,C,D3BP10.85
GUNGUANINEA1XT40.85
GUNGUANINEA1ULB0.85
GUNGUANINEA,B2I9U0.85
GUNGUANINEA2JH90.85
GUNGUANINEE1V2H0.85
GUNGUANINEA2JHA0.85
GUNGUANINEA,B,C,D1A950.85
GUNGUANINEA,B,C1XE70.85
GUNGUANINEA,B,C1YQQ0.85
GUNGUANINEA,B1D6A0.85
GUNGUANINEA1WET0.85
GUNGUANINEA2PUF0.85
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P		1SQL0.85
GUNGUANINEA,B,C1VMK0.85
GUNGUANINEA,B,C1YQU0.85
GUNGUANINEA2JHC0.85
GUNGUANINEA2JH80.85
GUNGUANINEA2JHP0.85
GUNGUANINEA2PUC0.85
GUNGUANINEA,B,C,D,E,F,
G,H		1XY30.85
GUNGUANINEA,B,C,D,E,F2O740.85
GUNGUANINEA2PWU0.85
GUNGUANINEA2OOD0.85
GUNGUANINEA2POT0.85
PGN2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATEA,C1J9N0.72
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
G313'-METHYL-2',3'-DEOXY-GUANOSINE-
5'-MONOPHOSPHATE		A1D260.72
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.8
G2SGUANOSINE-5'-DITHIOPHOSPHORATEA,B1K8L0.71
DFGA,B1FV70.71
DFGA,B1R4D0.71
2FI2'-fluoro-2'-deoxyinosineE,G3CWT0.71
2FI2'-fluoro-2'-deoxyinosineE,G3CWS0.71
MG77-METHYLGUANOSINEA1EQA0.71
MG77-METHYLGUANOSINEA4DCG0.71
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
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.82
XANXANTHINEA3GAO0.77
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U		3EUB0.77
XANXANTHINEA,B,C,D,E,F1YR30.77
XANXANTHINEA2UZ90.77
XANXANTHINEA,B,C,D,E,F,
G,H		2W3S0.77
XANXANTHINEA,B,C,D1A960.77
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A,B1AC90.76
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A2F3T0.76
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
37TTHEOBROMINEA2EFJ0.81
ANG8-AMINOGUANINEA,C1M3Q0.78
ANG8-AMINOGUANINEA,E1LWV0.78
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE		E1V3Q0.77
2ND2'-DEOXYINOSINEA1Z390.76
GN7N7-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA1GN70.71
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
TGPA,C1SC70.7
TGPA,C,D1K4T0.7
TGPA,C,D1T8I0.7
TGPA,C,D1SEU0.7
TEPTHEOPHYLLINEA1EHT0.79
TEPTHEOPHYLLINEA,B2A3A0.79
TEPTHEOPHYLLINEA1O150.79
GMS2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATEA,B1VRO0.71