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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00262002

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
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE		A,B1KI30.72
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE		A1RS20.72
SIB(2S)-2-AMINO-4-({[(2S,3S,4R,5R)-
3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-
9H-PURIN-9-YL)TETRAHYDROFURAN-2-
YL]METHYL}THIO)BUTANOIC ACID		A2PLM0.75
DFGA,B1FV70.7
DFGA,B1R4D0.7
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
XGU2-AMINO-9-(2,3-DIDEOXY-6-O-PHOSPHONO-
BETA-D-ERYTHRO-HEXOPYRANOSYL)-1,9-
DIHYDRO-6H-PURIN-6-ONE		A,B2H9S0.73
37TTHEOBROMINEA2EFJ0.74
XUGA,B2H1M0.71
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,E1T390.77
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE		A1FXU0.72
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,B2B1I0.71
2ND2'-DEOXYINOSINEA1Z390.72
MG77-METHYLGUANOSINEA1EQA0.73
MG77-METHYLGUANOSINEA4DCG0.73
GN7N7-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA1GN70.7
6HG1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL		A481D0.7
6HG1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL		A,B,C,D,E,G2BJ60.7
6HG1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL		B1EJZ0.7
6HG1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL		A,B1EC40.7
6HG1',5'-ANHYDRO-2',3'-DIDEOXY-2'-
(GUANIN-9-YL)-6'-O-PHOSPHORYL-D-
ARABINO-HEXITOL		A1D7Z0.7
GNG2'-DEOXY-GUANOSINEA,B,C,D1NH30.72
GNG2'-DEOXY-GUANOSINEA,B3DS70.72
GNG2'-DEOXY-GUANOSINEA,B2ZI70.72
GNG2'-DEOXY-GUANOSINEA,B2A8G0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L		1SOJ0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.73
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.73
GMS2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATEA,B1VRO0.7
MRGN2-(3-MERCAPTOPROPYL)-2'-DEOXYGUANOSINE-
5'-MONOPHOSPHATE		A,P1N5Y0.73
MRGN2-(3-MERCAPTOPROPYL)-2'-DEOXYGUANOSINE-
5'-MONOPHOSPHATE		A,P1N6Q0.73
MRGN2-(3-MERCAPTOPROPYL)-2'-DEOXYGUANOSINE-
5'-MONOPHOSPHATE		A,P1T030.73
MRGN2-(3-MERCAPTOPROPYL)-2'-DEOXYGUANOSINE-
5'-MONOPHOSPHATE		A,B,P1T050.73
FMG2-amino-9-(2-deoxy-2-fluoro-5-O-
phosphono-beta-D-arabinofuranosyl)-
7-methyl-6-oxo-6,9-dihydro-1H-purin-
7-ium		E,G3D4V0.71
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
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
G2SGUANOSINE-5'-DITHIOPHOSPHORATEA,B1K8L0.71
TGPA,C1SC70.75
TGPA,C,D1K4T0.75
TGPA,C,D1T8I0.75
TGPA,C,D1SEU0.75
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.74
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,D2B1G0.74
2DI9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-
2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE		E1V3Q0.73
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)		A,B2IUZ0.72
2EGA,B,C3EPG0.71
2EGA,B2HMD0.71
2EGA,B2HMR0.71
2EGA,B,C3EPI0.71
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
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE		A2JJA0.73
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE		A2UY30.71
01G12R750.7
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D,E,F,
G,H		1QPY0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1RRU0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1PDT0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1PUP0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		B1NR80.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B1XJ90.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A176D0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B,C,D1HZS0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE		A,B2K4G0.71
TEPTHEOPHYLLINEA1EHT0.71
TEPTHEOPHYLLINEA,B2A3A0.71
TEPTHEOPHYLLINEA1O150.71
8MG8-METHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1R4D0.72
8MG8-METHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B1TNE0.72
BGM8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA2JSQ0.7
BGM8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F,
G,H		1N7B0.7
BGM8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA1MDG0.7
BGM8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA2JSK0.7
BGM8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA2E4I0.7
BGM8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F,
G,H		2AWE0.7
BGM8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA2KF70.7
BGM8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F,
G,H		1N7A0.7
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
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D2YWC0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BVJ0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CU00.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CZF0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2VXO0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BPW0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1QK50.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEW0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1P4R0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEI0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1LOL0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PL00.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1M9N0.72
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PKX0.72
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.72
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.72
G47N2-ETHANETHIOL-2'-DEOXY-GUANOSINE-
5'-MONOPHOSPHATE		A,B,C,D1CW90.73
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.72
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE		A,B2A3C0.77
S4GA,B2RMQ0.77
MG1A229D0.71
3PD2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-
1,9-DIHYDRO-6H-PURIN-6-ONE		A2DJH0.7