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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00062562

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE		A,C,E,G2EG50.77
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,E1T390.74
GMPGUANOSINEA2GBH0.71
GMPGUANOSINEA1IH70.71
GMPGUANOSINEA2QVN0.71
GMPGUANOSINEA,B1WAF0.71
GMPGUANOSINEA,B,C,D,E,F1JE10.71
GMPGUANOSINEA3DMH0.71
GMPGUANOSINEE1RFG0.71
GMPGUANOSINEA2FQX0.71
GMPGUANOSINEA3CFO0.71
GMPGUANOSINEA,B2AN90.71
GMPGUANOSINEA,B,C,D,E,F1ODJ0.71
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.78
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.83
37TTHEOBROMINEA2EFJ0.84
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LVU0.71
9PP2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINEA,B,C,D,E,F1LV80.71
CFFCAFFEINEA,B1L5Q0.87
CFFCAFFEINEA,B2A3B0.87
CFFCAFFEINEA,B1L7X0.87
CFFCAFFEINEA1GFZ0.87
CFFCAFFEINEA,B3DDW0.87
CFFCAFFEINEA,B3DD10.87
CFFCAFFEINEA,B3DDS0.87
CFFCAFFEINEA1C8L0.87
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.74
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.77
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.76
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.76
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D2YWC0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BVJ0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CU00.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CZF0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2VXO0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BPW0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1QK50.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEW0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1P4R0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEI0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1LOL0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PL00.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1M9N0.71
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PKX0.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D,E,F,
G,H		1QPY0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1RRU0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1PDT0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1PUP0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B1XJ90.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A176D0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B,C,D1HZS0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE		A,B2K4G0.76
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,D2B1G0.73
TFO[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACIDA,P1T030.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,H2ATL0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,H,J2AU00.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P2OZS0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P1TK50.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T2OZM0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,P1T050.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1TK00.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B1QSS0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,D,E3GIM0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HVH0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H2ASJ0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,P,T1ZYQ0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F2HHW0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E2HVI0.7
DDG2',3'-DIDEOXY-GUANOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J2ASD0.7
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid		A,B,C,D3C1P0.76
TEPTHEOPHYLLINEA1EHT0.8
TEPTHEOPHYLLINEA,B2A3A0.8
TEPTHEOPHYLLINEA1O150.8
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.75
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE		B1NR80.7
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.74
MG77-METHYLGUANOSINEA1EQA0.71
MG77-METHYLGUANOSINEA4DCG0.71
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU30.72
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE		A,B2IU00.72
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine		A,B,C,D3C1P0.78
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.76
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
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.71
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.82
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.82
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A,B1AC90.71
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE		A2F3T0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.82
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.82
93A[3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-
1,2R,3S,4R-TETRAHYDRO-2L6-IMIDAZO[4,5-
C][1,2,6]THIADIAZIN-7-YL)TETRAHYDROFURAN-
2-YL]METHYL DIHYDROGEN PHOSPHATE		A,B2B1I0.7
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE		E1V3Q0.7
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.72
5HG{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACIDA,B2G1A0.71
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.84