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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03616376

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MG77-METHYLGUANOSINEA1EQA0.72
MG77-METHYLGUANOSINEA4DCG0.72
2EGA,B,C3EPG0.72
2EGA,B2HMD0.72
2EGA,B2HMR0.72
2EGA,B,C3EPI0.72
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
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.73
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A,B1AC90.73
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A2F3T0.73
TEPTHEOPHYLLINEA1EHT0.89
TEPTHEOPHYLLINEA,B2A3A0.89
TEPTHEOPHYLLINEA1O150.89
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
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.91
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.91
GUNGUANINEA,B1IT70.78
GUNGUANINEA,B,C,D3BP10.78
GUNGUANINEA1XT40.78
GUNGUANINEA1ULB0.78
GUNGUANINEA,B2I9U0.78
GUNGUANINEA2JH90.78
GUNGUANINEE1V2H0.78
GUNGUANINEA2JHA0.78
GUNGUANINEA,B,C,D1A950.78
GUNGUANINEA,B,C1XE70.78
GUNGUANINEA,B,C1YQQ0.78
GUNGUANINEA,B1D6A0.78
GUNGUANINEA1WET0.78
GUNGUANINEA2PUF0.78
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P		1SQL0.78
GUNGUANINEA,B,C1VMK0.78
GUNGUANINEA,B,C1YQU0.78
GUNGUANINEA2JHC0.78
GUNGUANINEA2JH80.78
GUNGUANINEA2JHP0.78
GUNGUANINEA2PUC0.78
GUNGUANINEA,B,C,D,E,F,
G,H		1XY30.78
GUNGUANINEA,B,C,D,E,F2O740.78
GUNGUANINEA2PWU0.78
GUNGUANINEA2OOD0.78
GUNGUANINEA2POT0.78
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.82
8IG8-IODO-GUANINEA,B,C1C3X0.7
37TTHEOBROMINEA2EFJ0.86
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.75
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
ANG8-AMINOGUANINEA,C1M3Q0.71
ANG8-AMINOGUANINEA,E1LWV0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D2YWC0.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BVJ0.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CU00.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CZF0.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2VXO0.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BPW0.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1QK50.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEW0.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1P4R0.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEI0.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1LOL0.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PL00.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1M9N0.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PKX0.76
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
2ND2'-DEOXYINOSINEA1Z390.72
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.83
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.85
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.77
MG1A229D0.7
63G(6S)-3-(2-deoxy-5-O-phosphono-beta-
D-erythro-pentofuranosyl)-6-hydroxy-
5,6,7,8-tetrahydropyrimido[1,2-
a]purin-10(3H)-one		A2KD90.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.74
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.74
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
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.81
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.81
G313'-METHYL-2',3'-DEOXY-GUANOSINE-
5'-MONOPHOSPHATE		A1D260.7
CFFCAFFEINEA,B1L5Q0.84
CFFCAFFEINEA,B2A3B0.84
CFFCAFFEINEA,B1L7X0.84
CFFCAFFEINEA1GFZ0.84
CFFCAFFEINEA,B3DDW0.84
CFFCAFFEINEA,B3DD10.84
CFFCAFFEINEA,B3DDS0.84
CFFCAFFEINEA1C8L0.84
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.76
O2G2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINEA,B,C,D,E,F2W9C0.7
O2G2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINEA,B,C,D,E,F2W9B0.7
O2G2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINEA,P,T2W9A0.7
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE		A,C,E,G2EG50.76
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.78
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.8
63H(6R)-3-(2-deoxy-5-O-phosphono-beta-
D-erythro-pentofuranosyl)-6-hydroxy-
5,6,7,8-tetrahydropyrimido[1,2-
a]purin-10(3H)-one		A2KDA0.71
XUGA,B2H1M0.7
G383'-AMINO-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A,B,C,D,E,F363D0.71
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE		E1V3Q0.72
HPAHYPOXANTHINEA1PNR0.78
HPAHYPOXANTHINEA2EET0.78
HPAHYPOXANTHINEA2PUG0.78
HPAHYPOXANTHINEA1A9T0.78
HPAHYPOXANTHINEA1BDI0.78
HPAHYPOXANTHINEA1QQA0.78
HPAHYPOXANTHINEA1VFN0.78
HPAHYPOXANTHINEA1VPW0.78
HPAHYPOXANTHINEA2EEV0.78
HPAHYPOXANTHINEA1A9Q0.78
HPAHYPOXANTHINEA1A9R0.78
HPAHYPOXANTHINEA2EEU0.78
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W550.78
HPAHYPOXANTHINEA1JFT0.78
HPAHYPOXANTHINEA2EEW0.78
HPAHYPOXANTHINEA2PUD0.78
HPAHYPOXANTHINEA1QP70.78
HPAHYPOXANTHINEA,M1ZAY0.78
HPAHYPOXANTHINEA1JH90.78
HPAHYPOXANTHINEA2EES0.78
HPAHYPOXANTHINEA1JFS0.78
HPAHYPOXANTHINEA1QP00.78
HPAHYPOXANTHINEA1QPZ0.78
HPAHYPOXANTHINEA1U8D0.78
HPAHYPOXANTHINEA1QQB0.78
HPAHYPOXANTHINEA1BDH0.78
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H		2W3R0.78
HPAHYPOXANTHINEA1QP40.78
HPAHYPOXANTHINEA,B,C3FNQ0.78
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.83
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.77
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.77
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A277D0.71
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A427D0.71
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A1D330.71
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A1QDA0.71
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A,B381D0.71
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A278D0.71
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE		A,B380D0.71
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE		A2Z1W0.7
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE		A1N2V0.7
13A7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-
2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-
2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4S-ONE		A,B,C,D2B1G0.72
NDM7,9-DIMETHYLGUANINEA1JSZ0.7
E1XPHOSPHORIC ACID MONO-[5-(1-ETHYL-
2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-
9-YL)-3-HYDROXY-TETRAHYDRO-FURAN-
2-YLMETHYL]ESTER		C,E1T390.76
XANXANTHINEA3GAO0.86
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U		3EUB0.86
XANXANTHINEA,B,C,D,E,F1YR30.86
XANXANTHINEA2UZ90.86
XANXANTHINEA,B,C,D,E,F,
G,H		2W3S0.86
XANXANTHINEA,B,C,D1A960.86