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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03285519

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
37TTHEOBROMINEA2EFJ0.75
HPAHYPOXANTHINEA1PNR0.8
HPAHYPOXANTHINEA2EET0.8
HPAHYPOXANTHINEA2PUG0.8
HPAHYPOXANTHINEA1A9T0.8
HPAHYPOXANTHINEA1BDI0.8
HPAHYPOXANTHINEA1QQA0.8
HPAHYPOXANTHINEA1VFN0.8
HPAHYPOXANTHINEA1VPW0.8
HPAHYPOXANTHINEA2EEV0.8
HPAHYPOXANTHINEA1A9Q0.8
HPAHYPOXANTHINEA1A9R0.8
HPAHYPOXANTHINEA2EEU0.8
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.8
HPAHYPOXANTHINEA1JFT0.8
HPAHYPOXANTHINEA2EEW0.8
HPAHYPOXANTHINEA2PUD0.8
HPAHYPOXANTHINEA1QP70.8
HPAHYPOXANTHINEA,M1ZAY0.8
HPAHYPOXANTHINEA1JH90.8
HPAHYPOXANTHINEA2EES0.8
HPAHYPOXANTHINEA1JFS0.8
HPAHYPOXANTHINEA1QP00.8
HPAHYPOXANTHINEA1QPZ0.8
HPAHYPOXANTHINEA1U8D0.8
HPAHYPOXANTHINEA1QQB0.8
HPAHYPOXANTHINEA1BDH0.8
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.8
HPAHYPOXANTHINEA1QP40.8
HPAHYPOXANTHINEA,B,C3FNQ0.8
GPXA,B1VJ70.7
GPXA1CH80.7
2ND2'-DEOXYINOSINEA1Z390.74
G2SGUANOSINE-5'-DITHIOPHOSPHORATEA,B1K8L0.7
DFGA,B1FV70.7
DFGA,B1R4D0.7
GNG2'-DEOXY-GUANOSINEA,B,C,D1NH30.74
GNG2'-DEOXY-GUANOSINEA,B3DS70.74
GNG2'-DEOXY-GUANOSINEA,B2ZI70.74
GNG2'-DEOXY-GUANOSINEA,B2A8G0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.74
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.74
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.78
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.71
ANG8-AMINOGUANINEA,C1M3Q0.76
ANG8-AMINOGUANINEA,E1LWV0.76
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
GN7N7-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA1GN70.7
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.8
8MG8-METHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1R4D0.71
8MG8-METHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1TNE0.71
TEPTHEOPHYLLINEA1EHT0.72
TEPTHEOPHYLLINEA,B2A3A0.72
TEPTHEOPHYLLINEA1O150.72
GMS2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATEA,B1VRO0.7
8IG8-IODO-GUANINEA,B,C1C3X0.75
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A,B1AC90.72
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A2F3T0.72
CFFCAFFEINEA,B1L5Q0.73
CFFCAFFEINEA,B2A3B0.73
CFFCAFFEINEA,B1L7X0.73
CFFCAFFEINEA1GFZ0.73
CFFCAFFEINEA,B3DDW0.73
CFFCAFFEINEA,B3DD10.73
CFFCAFFEINEA,B3DDS0.73
CFFCAFFEINEA1C8L0.73
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.79
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE
A2JJA0.74
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
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.75
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1DEK0.7
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA1RND0.7
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1DEL0.7
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1TLC0.7
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA2QCA0.7
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1OVF0.7
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
1Q9X0.7
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEX1Z4P0.7
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,C2DWN0.7
DGP2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA2FC00.7
G313'-METHYL-2',3'-DEOXY-GUANOSINE-
5'-MONOPHOSPHATE
A1D260.7
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.71
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE
E1V3Q0.75
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
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.79
PGN2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATEA,C1J9N0.71
XANXANTHINEA3GAO0.72
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.72
XANXANTHINEA,B,C,D,E,F1YR30.72
XANXANTHINEA2UZ90.72
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.72
XANXANTHINEA,B,C,D1A960.72
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,H2ATL0.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,H,J2AU00.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P2OZS0.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P1TK50.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T2OZM0.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,P1T050.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1TK00.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B1QSS0.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,E3GIM0.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HVH0.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H2ASJ0.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1ZYQ0.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HHW0.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E2HVI0.73
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J2ASD0.73
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.79
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.76
G383'-AMINO-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE
A,B,C,D,E,F363D0.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.73
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.73
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.78
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.78
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.72
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.74
GUNGUANINEA,B1IT70.8
GUNGUANINEA,B,C,D3BP10.8
GUNGUANINEA1XT40.8
GUNGUANINEA1ULB0.8
GUNGUANINEA,B2I9U0.8
GUNGUANINEA2JH90.8
GUNGUANINEE1V2H0.8
GUNGUANINEA2JHA0.8
GUNGUANINEA,B,C,D1A950.8
GUNGUANINEA,B,C1XE70.8
GUNGUANINEA,B,C1YQQ0.8
GUNGUANINEA,B1D6A0.8
GUNGUANINEA1WET0.8
GUNGUANINEA2PUF0.8
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.8
GUNGUANINEA,B,C1VMK0.8
GUNGUANINEA,B,C1YQU0.8
GUNGUANINEA2JHC0.8
GUNGUANINEA2JH80.8
GUNGUANINEA2JHP0.8
GUNGUANINEA2PUC0.8
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.8
GUNGUANINEA,B,C,D,E,F2O740.8
GUNGUANINEA2PWU0.8
GUNGUANINEA2OOD0.8
GUNGUANINEA2POT0.8
3PD2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-
1,9-DIHYDRO-6H-PURIN-6-ONE
A2DJH0.7
BRG8-BROMOGUANINEA,E1LWW0.74