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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02803143

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.75
2ND2'-DEOXYINOSINEA1Z390.73
MG77-METHYLGUANOSINEA1EQA0.72
MG77-METHYLGUANOSINEA4DCG0.72
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.77
HPAHYPOXANTHINEA1PNR0.82
HPAHYPOXANTHINEA2EET0.82
HPAHYPOXANTHINEA2PUG0.82
HPAHYPOXANTHINEA1A9T0.82
HPAHYPOXANTHINEA1BDI0.82
HPAHYPOXANTHINEA1QQA0.82
HPAHYPOXANTHINEA1VFN0.82
HPAHYPOXANTHINEA1VPW0.82
HPAHYPOXANTHINEA2EEV0.82
HPAHYPOXANTHINEA1A9Q0.82
HPAHYPOXANTHINEA1A9R0.82
HPAHYPOXANTHINEA2EEU0.82
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W550.82
HPAHYPOXANTHINEA1JFT0.82
HPAHYPOXANTHINEA2EEW0.82
HPAHYPOXANTHINEA2PUD0.82
HPAHYPOXANTHINEA1QP70.82
HPAHYPOXANTHINEA,M1ZAY0.82
HPAHYPOXANTHINEA1JH90.82
HPAHYPOXANTHINEA2EES0.82
HPAHYPOXANTHINEA1JFS0.82
HPAHYPOXANTHINEA1QP00.82
HPAHYPOXANTHINEA1QPZ0.82
HPAHYPOXANTHINEA1U8D0.82
HPAHYPOXANTHINEA1QQB0.82
HPAHYPOXANTHINEA1BDH0.82
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W3R0.82
HPAHYPOXANTHINEA1QP40.82
HPAHYPOXANTHINEA,B,C3FNQ0.82
G2SGUANOSINE-5'-DITHIOPHOSPHORATEA,B1K8L0.7
DFGA,B1FV70.7
DFGA,B1R4D0.7
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.82
O2G2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINEA,B,C,D,E,F2W9C0.71
O2G2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINEA,B,C,D,E,F2W9B0.71
O2G2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINEA,P,T2W9A0.71
37TTHEOBROMINEA2EFJ0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.78
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.78
MG1A229D0.72
CFFCAFFEINEA,B1L5Q0.88
CFFCAFFEINEA,B2A3B0.88
CFFCAFFEINEA,B1L7X0.88
CFFCAFFEINEA1GFZ0.88
CFFCAFFEINEA,B3DDW0.88
CFFCAFFEINEA,B3DD10.88
CFFCAFFEINEA,B3DDS0.88
CFFCAFFEINEA1C8L0.88
XUGA,B2H1M0.71
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A,B1AC90.78
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A2F3T0.78
G383'-AMINO-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A,B,C,D,E,F363D0.7
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
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
GN7N7-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA1GN70.7
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
GNG2'-DEOXY-GUANOSINEA,B,C,D1NH30.72
GNG2'-DEOXY-GUANOSINEA,B3DS70.72
GNG2'-DEOXY-GUANOSINEA,B2ZI70.72
GNG2'-DEOXY-GUANOSINEA,B2A8G0.72
GMS2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATEA,B1VRO0.7
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.75
8IG8-IODO-GUANINEA,B,C1C3X0.75
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.77
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.81
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.78
G313'-METHYL-2',3'-DEOXY-GUANOSINE-
5'-MONOPHOSPHATE		A1D260.72
TEPTHEOPHYLLINEA1EHT0.8
TEPTHEOPHYLLINEA,B2A3A0.8
TEPTHEOPHYLLINEA1O150.8
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
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE		E1V3Q0.74
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
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.81
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
PGN2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATEA,C1J9N0.71
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.84
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
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.78
GUNGUANINEA,B1IT70.82
GUNGUANINEA,B,C,D3BP10.82
GUNGUANINEA1XT40.82
GUNGUANINEA1ULB0.82
GUNGUANINEA,B2I9U0.82
GUNGUANINEA2JH90.82
GUNGUANINEE1V2H0.82
GUNGUANINEA2JHA0.82
GUNGUANINEA,B,C,D1A950.82
GUNGUANINEA,B,C1XE70.82
GUNGUANINEA,B,C1YQQ0.82
GUNGUANINEA,B1D6A0.82
GUNGUANINEA1WET0.82
GUNGUANINEA2PUF0.82
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P		1SQL0.82
GUNGUANINEA,B,C1VMK0.82
GUNGUANINEA,B,C1YQU0.82
GUNGUANINEA2JHC0.82
GUNGUANINEA2JH80.82
GUNGUANINEA2JHP0.82
GUNGUANINEA2PUC0.82
GUNGUANINEA,B,C,D,E,F,
G,H		1XY30.82
GUNGUANINEA,B,C,D,E,F2O740.82
GUNGUANINEA2PWU0.82
GUNGUANINEA2OOD0.82
GUNGUANINEA2POT0.82
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
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.77
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.86
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.86
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.72
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.81
3PD2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-
1,9-DIHYDRO-6H-PURIN-6-ONE		A2DJH0.7
BRG8-BROMOGUANINEA,E1LWW0.74