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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00909276

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.81
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.84
37TTHEOBROMINEA2EFJ0.85
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.78
2ND2'-DEOXYINOSINEA1Z390.74
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.71
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.81
G2SGUANOSINE-5'-DITHIOPHOSPHORATEA,B1K8L0.7
DFGA,B1FV70.7
DFGA,B1R4D0.7
CFFCAFFEINEA,B1L5Q0.83
CFFCAFFEINEA,B2A3B0.83
CFFCAFFEINEA,B1L7X0.83
CFFCAFFEINEA1GFZ0.83
CFFCAFFEINEA,B3DDW0.83
CFFCAFFEINEA,B3DD10.83
CFFCAFFEINEA,B3DDS0.83
CFFCAFFEINEA1C8L0.83
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A,B1AC90.74
LGPN9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-
3'-MONOPHOSPHATE
A2F3T0.74
XTS9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-
PURINE-2,6-DIONE
A,C,E,G2EG50.78
MG1A229D0.72
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.84
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.84
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.7
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.71
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.81
XANXANTHINEA3GAO0.79
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.79
XANXANTHINEA,B,C,D,E,F1YR30.79
XANXANTHINEA2UZ90.79
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.79
XANXANTHINEA,B,C,D1A960.79
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE
A277D0.72
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE
A427D0.72
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE
A1D330.72
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE
A1QDA0.72
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE
A,B381D0.72
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE
A278D0.72
G49N2-METHYL-2'-DEOXY-GUANOSINE-5'-
MONOPHOSPHATE
A,B380D0.72
HPAHYPOXANTHINEA1PNR0.71
HPAHYPOXANTHINEA2EET0.71
HPAHYPOXANTHINEA2PUG0.71
HPAHYPOXANTHINEA1A9T0.71
HPAHYPOXANTHINEA1BDI0.71
HPAHYPOXANTHINEA1QQA0.71
HPAHYPOXANTHINEA1VFN0.71
HPAHYPOXANTHINEA1VPW0.71
HPAHYPOXANTHINEA2EEV0.71
HPAHYPOXANTHINEA1A9Q0.71
HPAHYPOXANTHINEA1A9R0.71
HPAHYPOXANTHINEA2EEU0.71
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.71
HPAHYPOXANTHINEA1JFT0.71
HPAHYPOXANTHINEA2EEW0.71
HPAHYPOXANTHINEA2PUD0.71
HPAHYPOXANTHINEA1QP70.71
HPAHYPOXANTHINEA,M1ZAY0.71
HPAHYPOXANTHINEA1JH90.71
HPAHYPOXANTHINEA2EES0.71
HPAHYPOXANTHINEA1JFS0.71
HPAHYPOXANTHINEA1QP00.71
HPAHYPOXANTHINEA1QPZ0.71
HPAHYPOXANTHINEA1U8D0.71
HPAHYPOXANTHINEA1QQB0.71
HPAHYPOXANTHINEA1BDH0.71
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.71
HPAHYPOXANTHINEA1QP40.71
HPAHYPOXANTHINEA,B,C3FNQ0.71
XGU2-AMINO-9-(2,3-DIDEOXY-6-O-PHOSPHONO-
BETA-D-ERYTHRO-HEXOPYRANOSYL)-1,9-
DIHYDRO-6H-PURIN-6-ONE
A,B2H9S0.7
MG77-METHYLGUANOSINEA1EQA0.73
MG77-METHYLGUANOSINEA4DCG0.73
2EGA,B,C3EPG0.73
2EGA,B2HMD0.73
2EGA,B2HMR0.73
2EGA,B,C3EPI0.73
GN7N7-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATEA1GN70.7
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
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,E1T390.78
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
A2KDA0.72
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.79
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.79
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
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.72
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
NDM7,9-DIMETHYLGUANINEA1JSZ0.74
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D2YWC0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BVJ0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CU00.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2CZF0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B2VXO0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B3BPW0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1QK50.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEW0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1P4R0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA1MEI0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1LOL0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PL00.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B1M9N0.73
XMPXANTHOSINE-5'-MONOPHOSPHATEA,B,C,D1PKX0.73
O2G2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINEA,B,C,D,E,F2W9C0.72
O2G2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINEA,B,C,D,E,F2W9B0.72
O2G2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINEA,P,T2W9A0.72
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
GUNGUANINEA,B1IT70.71
GUNGUANINEA,B,C,D3BP10.71
GUNGUANINEA1XT40.71
GUNGUANINEA1ULB0.71
GUNGUANINEA,B2I9U0.71
GUNGUANINEA2JH90.71
GUNGUANINEE1V2H0.71
GUNGUANINEA2JHA0.71
GUNGUANINEA,B,C,D1A950.71
GUNGUANINEA,B,C1XE70.71
GUNGUANINEA,B,C1YQQ0.71
GUNGUANINEA,B1D6A0.71
GUNGUANINEA1WET0.71
GUNGUANINEA2PUF0.71
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.71
GUNGUANINEA,B,C1VMK0.71
GUNGUANINEA,B,C1YQU0.71
GUNGUANINEA2JHC0.71
GUNGUANINEA2JH80.71
GUNGUANINEA2JHP0.71
GUNGUANINEA2PUC0.71
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.71
GUNGUANINEA,B,C,D,E,F2O740.71
GUNGUANINEA2PWU0.71
GUNGUANINEA2OOD0.71
GUNGUANINEA2POT0.71
TEPTHEOPHYLLINEA1EHT0.82
TEPTHEOPHYLLINEA,B2A3A0.82
TEPTHEOPHYLLINEA1O150.82
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.75
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.75
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
01G12R750.7
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
A2KD90.72
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
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.83
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E1FCW0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F1OB50.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB,C,D1JGQ0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB1ML50.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEX,Y2DLC0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B,C,D,E,F1TTT0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B1F7U0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA2Z9Q0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB,C,D1GIX0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1WTS0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B1OB20.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATE2,Y2QNH0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,B3DEG0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEC,D1MJ10.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB1F7V0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1WTT0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1YFG0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1TRA0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA,C,E,F486D0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEE,F1SZ10.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1TN20.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1EVV0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATE0,Y,Z2OW80.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB,C,D1JGP0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA4TNA0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEV,Y,Z3FIC0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA6TNA0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1EHZ0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA1FIR0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEA4TRA0.7
2MG2N-METHYLGUANOSINE-5'-MONOPHOSPHATEB,C,D1JGO0.7
ZGU(S)-1'-(2',3'-DIHYDROXYPROPYL)-
GUANINE
A2JJA0.77
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
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.77
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.8
KAGA2HLI0.71
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.8
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.74
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.74
XUGA,B2H1M0.72
3PD2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-
1,9-DIHYDRO-6H-PURIN-6-ONE
A2DJH0.7