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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02468837

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XANXANTHINEA3GAO0.82
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.82
XANXANTHINEA,B,C,D,E,F1YR30.82
XANXANTHINEA2UZ90.82
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.82
XANXANTHINEA,B,C,D1A960.82
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.77
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A,B1AC90.73
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A2F3T0.73
2906-methyl-3,9-dihydro-2H-purin-2-
one
A,B,C,I,J,K3B9J0.73
ANG8-AMINOGUANINEA,C1M3Q0.82
ANG8-AMINOGUANINEA,E1LWV0.82
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.78
MG77-METHYLGUANOSINEA1EQA0.7
MG77-METHYLGUANOSINEA4DCG0.7
2EGA,B,C3EPG0.7
2EGA,B2HMD0.7
2EGA,B2HMR0.7
2EGA,B,C3EPI0.7
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
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.8
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.8
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.71
BRG8-BROMOGUANINEA,E1LWW0.8
CFFCAFFEINEA,B1L5Q0.76
CFFCAFFEINEA,B2A3B0.76
CFFCAFFEINEA,B1L7X0.76
CFFCAFFEINEA1GFZ0.76
CFFCAFFEINEA,B3DDW0.76
CFFCAFFEINEA,B3DD10.76
CFFCAFFEINEA,B3DDS0.76
CFFCAFFEINEA1C8L0.76
GNG2'-DEOXY-GUANOSINEA,B,C,D1NH30.7
GNG2'-DEOXY-GUANOSINEA,B3DS70.7
GNG2'-DEOXY-GUANOSINEA,B2ZI70.7
GNG2'-DEOXY-GUANOSINEA,B2A8G0.7
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.76
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,P3BQ10.7
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,T1JXL0.7
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,B1QSS0.7
DG32'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATEA,P1T7P0.7
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.8
37TTHEOBROMINEA2EFJ0.77
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.79
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.79
GUNGUANINEA,B1IT70.89
GUNGUANINEA,B,C,D3BP10.89
GUNGUANINEA1XT40.89
GUNGUANINEA1ULB0.89
GUNGUANINEA,B2I9U0.89
GUNGUANINEA2JH90.89
GUNGUANINEE1V2H0.89
GUNGUANINEA2JHA0.89
GUNGUANINEA,B,C,D1A950.89
GUNGUANINEA,B,C1XE70.89
GUNGUANINEA,B,C1YQQ0.89
GUNGUANINEA,B1D6A0.89
GUNGUANINEA1WET0.89
GUNGUANINEA2PUF0.89
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.89
GUNGUANINEA,B,C1VMK0.89
GUNGUANINEA,B,C1YQU0.89
GUNGUANINEA2JHC0.89
GUNGUANINEA2JH80.89
GUNGUANINEA2JHP0.89
GUNGUANINEA2PUC0.89
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.89
GUNGUANINEA,B,C,D,E,F2O740.89
GUNGUANINEA2PWU0.89
GUNGUANINEA2OOD0.89
GUNGUANINEA2POT0.89
GMPGUANOSINEA2GBH0.7
GMPGUANOSINEA1IH70.7
GMPGUANOSINEA2QVN0.7
GMPGUANOSINEA,B1WAF0.7
GMPGUANOSINEA,B,C,D,E,F1JE10.7
GMPGUANOSINEA3DMH0.7
GMPGUANOSINEE1RFG0.7
GMPGUANOSINEA2FQX0.7
GMPGUANOSINEA3CFO0.7
GMPGUANOSINEA,B2AN90.7
GMPGUANOSINEA,B,C,D,E,F1ODJ0.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.79
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.79
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.79
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.79
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.79
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.79
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.79
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.79
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.79
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.81
G313'-METHYL-2',3'-DEOXY-GUANOSINE-
5'-MONOPHOSPHATE
A1D260.7
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
TEPTHEOPHYLLINEA1EHT0.82
TEPTHEOPHYLLINEA,B2A3A0.82
TEPTHEOPHYLLINEA1O150.82
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
E1V3Q0.73
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.82
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE
A2JJA0.73
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A2Z1W0.73
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A1N2V0.73
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.76
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.78
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.79
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.8
G383'-AMINO-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE
A,B,C,D,E,F363D0.71
2ND2'-DEOXYINOSINEA1Z390.71
DX42-amino-1,9-dihydro-6H-purine-6-
thione
A,B,C,D3BMG0.72
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.79
8IG8-IODO-GUANINEA,B,C1C3X0.8