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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03204434

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
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,H2ATL0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,H,J2AU00.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P2OZS0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P1TK50.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T2OZM0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,P1T050.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1TK00.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B1QSS0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,E3GIM0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HVH0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H2ASJ0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1ZYQ0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HHW0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E2HVI0.71
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J2ASD0.71
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.77
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.85
37TTHEOBROMINEA2EFJ0.85
BRG8-BROMOGUANINEA,E1LWW0.81
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.78
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
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.81
XANXANTHINEA3GAO0.8
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U		3EUB0.8
XANXANTHINEA,B,C,D,E,F1YR30.8
XANXANTHINEA2UZ90.8
XANXANTHINEA,B,C,D,E,F,
G,H		2W3S0.8
XANXANTHINEA,B,C,D1A960.8
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.83
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.83
ANG8-AMINOGUANINEA,C1M3Q0.83
ANG8-AMINOGUANINEA,E1LWV0.83
2906-methyl-3,9-dihydro-2H-purin-2-
one		A,B,C,I,J,K3B9J0.7
CFFCAFFEINEA,B1L5Q0.81
CFFCAFFEINEA,B2A3B0.81
CFFCAFFEINEA,B1L7X0.81
CFFCAFFEINEA1GFZ0.81
CFFCAFFEINEA,B3DDW0.81
CFFCAFFEINEA,B3DD10.81
CFFCAFFEINEA,B3DDS0.81
CFFCAFFEINEA1C8L0.81
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.72
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.72
2ND2'-DEOXYINOSINEA1Z390.7
AMR3,5-DIAMINO-N-(AMINOIMINOMETHYL)-
6-CHLOROPYRAZINECARBOXAMIDE		A1F5L0.7
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.76
GNG2'-DEOXY-GUANOSINEA,B,C,D1NH30.72
GNG2'-DEOXY-GUANOSINEA,B3DS70.72
GNG2'-DEOXY-GUANOSINEA,B2ZI70.72
GNG2'-DEOXY-GUANOSINEA,B2A8G0.72
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
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
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.73
TEPTHEOPHYLLINEA1EHT0.8
TEPTHEOPHYLLINEA,B2A3A0.8
TEPTHEOPHYLLINEA1O150.8
8IG8-IODO-GUANINEA,B,C1C3X0.81
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.76
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.76
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.8
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A,B1AC90.76
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A2F3T0.76
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE		E1V3Q0.72
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.73
DX42-amino-1,9-dihydro-6H-purine-6-
thione		A,B,C,D3BMG0.72
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.79
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.8
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.8
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.8