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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02472740

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GMPGUANOSINEA2GBH0.71
GMPGUANOSINEA1IH70.71
GMPGUANOSINEA2QVN0.71
GMPGUANOSINEA,B1WAF0.71
GMPGUANOSINEA,B,C,D,E,F1JE10.71
GMPGUANOSINEA3DMH0.71
GMPGUANOSINEE1RFG0.71
GMPGUANOSINEA2FQX0.71
GMPGUANOSINEA3CFO0.71
GMPGUANOSINEA,B2AN90.71
GMPGUANOSINEA,B,C,D,E,F1ODJ0.71
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A,B1AC90.75
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A2F3T0.75
TEPTHEOPHYLLINEA1EHT0.85
TEPTHEOPHYLLINEA,B2A3A0.85
TEPTHEOPHYLLINEA1O150.85
G313'-METHYL-2',3'-DEOXY-GUANOSINE-
5'-MONOPHOSPHATE
A1D260.71
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.78
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.81
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.81
PGN2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATEA,C1J9N0.7
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.86
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.71
2ND2'-DEOXYINOSINEA1Z390.72
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
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.85
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.85
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A2Z1W0.71
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A1N2V0.71
G383'-AMINO-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE
A,B,C,D,E,F363D0.72
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE
A2JJA0.76
8IG8-IODO-GUANINEA,B,C1C3X0.85
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.77
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.82
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.82
XANXANTHINEA3GAO0.84
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.84
XANXANTHINEA,B,C,D,E,F1YR30.84
XANXANTHINEA2UZ90.84
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.84
XANXANTHINEA,B,C,D1A960.84
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.82
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.8
37TTHEOBROMINEA2EFJ0.8
GUNGUANINEA,B1IT70.94
GUNGUANINEA,B,C,D3BP10.94
GUNGUANINEA1XT40.94
GUNGUANINEA1ULB0.94
GUNGUANINEA,B2I9U0.94
GUNGUANINEA2JH90.94
GUNGUANINEE1V2H0.94
GUNGUANINEA2JHA0.94
GUNGUANINEA,B,C,D1A950.94
GUNGUANINEA,B,C1XE70.94
GUNGUANINEA,B,C1YQQ0.94
GUNGUANINEA,B1D6A0.94
GUNGUANINEA1WET0.94
GUNGUANINEA2PUF0.94
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.94
GUNGUANINEA,B,C1VMK0.94
GUNGUANINEA,B,C1YQU0.94
GUNGUANINEA2JHC0.94
GUNGUANINEA2JH80.94
GUNGUANINEA2JHP0.94
GUNGUANINEA2PUC0.94
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.94
GUNGUANINEA,B,C,D,E,F2O740.94
GUNGUANINEA2PWU0.94
GUNGUANINEA2OOD0.94
GUNGUANINEA2POT0.94
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,H2ATL0.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,H,J2AU00.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P2OZS0.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P1TK50.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T2OZM0.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,P1T050.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1TK00.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B1QSS0.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,E3GIM0.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HVH0.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H2ASJ0.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1ZYQ0.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HHW0.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E2HVI0.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J2ASD0.72
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.75
MG77-METHYLGUANOSINEA1EQA0.71
MG77-METHYLGUANOSINEA4DCG0.71
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.74
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
E1V3Q0.73
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.81
2EGA,B,C3EPG0.71
2EGA,B2HMD0.71
2EGA,B2HMR0.71
2EGA,B,C3EPI0.71
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.81
HPAHYPOXANTHINEA1PNR0.92
HPAHYPOXANTHINEA2EET0.92
HPAHYPOXANTHINEA2PUG0.92
HPAHYPOXANTHINEA1A9T0.92
HPAHYPOXANTHINEA1BDI0.92
HPAHYPOXANTHINEA1QQA0.92
HPAHYPOXANTHINEA1VFN0.92
HPAHYPOXANTHINEA1VPW0.92
HPAHYPOXANTHINEA2EEV0.92
HPAHYPOXANTHINEA1A9Q0.92
HPAHYPOXANTHINEA1A9R0.92
HPAHYPOXANTHINEA2EEU0.92
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.92
HPAHYPOXANTHINEA1JFT0.92
HPAHYPOXANTHINEA2EEW0.92
HPAHYPOXANTHINEA2PUD0.92
HPAHYPOXANTHINEA1QP70.92
HPAHYPOXANTHINEA,M1ZAY0.92
HPAHYPOXANTHINEA1JH90.92
HPAHYPOXANTHINEA2EES0.92
HPAHYPOXANTHINEA1JFS0.92
HPAHYPOXANTHINEA1QP00.92
HPAHYPOXANTHINEA1QPZ0.92
HPAHYPOXANTHINEA1U8D0.92
HPAHYPOXANTHINEA1QQB0.92
HPAHYPOXANTHINEA1BDH0.92
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.92
HPAHYPOXANTHINEA1QP40.92
HPAHYPOXANTHINEA,B,C3FNQ0.92
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.84
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.82
CFFCAFFEINEA,B1L5Q0.78
CFFCAFFEINEA,B2A3B0.78
CFFCAFFEINEA,B1L7X0.78
CFFCAFFEINEA1GFZ0.78
CFFCAFFEINEA,B3DDW0.78
CFFCAFFEINEA,B3DD10.78
CFFCAFFEINEA,B3DDS0.78
CFFCAFFEINEA1C8L0.78
ANG8-AMINOGUANINEA,C1M3Q0.86
ANG8-AMINOGUANINEA,E1LWV0.86
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.78
GNG2'-DEOXY-GUANOSINEA,B,C,D1NH30.71
GNG2'-DEOXY-GUANOSINEA,B3DS70.71
GNG2'-DEOXY-GUANOSINEA,B2ZI70.71
GNG2'-DEOXY-GUANOSINEA,B2A8G0.71
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.73
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,P3BQ10.71
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,T1JXL0.71
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,B1QSS0.71
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,P1T7P0.71
BRG8-BROMOGUANINEA,E1LWW0.84
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.83