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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03364448

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,G2EG50.72
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.77
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.77
GUNGUANINEA,B1IT70.77
GUNGUANINEA,B,C,D3BP10.77
GUNGUANINEA1XT40.77
GUNGUANINEA1ULB0.77
GUNGUANINEA,B2I9U0.77
GUNGUANINEA2JH90.77
GUNGUANINEE1V2H0.77
GUNGUANINEA2JHA0.77
GUNGUANINEA,B,C,D1A950.77
GUNGUANINEA,B,C1XE70.77
GUNGUANINEA,B,C1YQQ0.77
GUNGUANINEA,B1D6A0.77
GUNGUANINEA1WET0.77
GUNGUANINEA2PUF0.77
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.77
GUNGUANINEA,B,C1VMK0.77
GUNGUANINEA,B,C1YQU0.77
GUNGUANINEA2JHC0.77
GUNGUANINEA2JH80.77
GUNGUANINEA2JHP0.77
GUNGUANINEA2PUC0.77
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.77
GUNGUANINEA,B,C,D,E,F2O740.77
GUNGUANINEA2PWU0.77
GUNGUANINEA2OOD0.77
GUNGUANINEA2POT0.77
PE29-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-
1-YL)GUANINE
A,B1KI30.72
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.81
37TTHEOBROMINEA2EFJ0.85
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.71
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.75
CFFCAFFEINEA,B1L5Q0.83
CFFCAFFEINEA,B2A3B0.83
CFFCAFFEINEA,B1L7X0.83
CFFCAFFEINEA1GFZ0.83
CFFCAFFEINEA,B3DDW0.83
CFFCAFFEINEA,B3DD10.83
CFFCAFFEINEA,B3DDS0.83
CFFCAFFEINEA1C8L0.83
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.74
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,E1T390.72
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.8
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.8
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.71
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.71
8IG8-IODO-GUANINEA,B,C1C3X0.73
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.74
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.89
ANG8-AMINOGUANINEA,C1M3Q0.74
ANG8-AMINOGUANINEA,E1LWV0.74
XANXANTHINEA3GAO0.85
XANXANTHINE2,3,4,A,B,C,
J,K,L,S,T,U
3EUB0.85
XANXANTHINEA,B,C,D,E,F1YR30.85
XANXANTHINEA2UZ90.85
XANXANTHINEA,B,C,D,E,F,
G,H
2W3S0.85
XANXANTHINEA,B,C,D1A960.85
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.87
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE
A,B,C,D2AJ80.7
PNX3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-
DIHYDRO-1H-PURINE-2,6-DIONE
A,B2A3C0.86
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.72
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.72
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.76
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A2Z1W0.77
BDI2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-
D]PYRIDAZINE-4,7-DIONE
A1N2V0.77
BRG8-BROMOGUANINEA,E1LWW0.73
TEPTHEOPHYLLINEA1EHT0.88
TEPTHEOPHYLLINEA,B2A3A0.88
TEPTHEOPHYLLINEA1O150.88
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
HPAHYPOXANTHINEA1PNR0.77
HPAHYPOXANTHINEA2EET0.77
HPAHYPOXANTHINEA2PUG0.77
HPAHYPOXANTHINEA1A9T0.77
HPAHYPOXANTHINEA1BDI0.77
HPAHYPOXANTHINEA1QQA0.77
HPAHYPOXANTHINEA1VFN0.77
HPAHYPOXANTHINEA1VPW0.77
HPAHYPOXANTHINEA2EEV0.77
HPAHYPOXANTHINEA1A9Q0.77
HPAHYPOXANTHINEA1A9R0.77
HPAHYPOXANTHINEA2EEU0.77
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W550.77
HPAHYPOXANTHINEA1JFT0.77
HPAHYPOXANTHINEA2EEW0.77
HPAHYPOXANTHINEA2PUD0.77
HPAHYPOXANTHINEA1QP70.77
HPAHYPOXANTHINEA,M1ZAY0.77
HPAHYPOXANTHINEA1JH90.77
HPAHYPOXANTHINEA2EES0.77
HPAHYPOXANTHINEA1JFS0.77
HPAHYPOXANTHINEA1QP00.77
HPAHYPOXANTHINEA1QPZ0.77
HPAHYPOXANTHINEA1U8D0.77
HPAHYPOXANTHINEA1QQB0.77
HPAHYPOXANTHINEA1BDH0.77
HPAHYPOXANTHINEA,B,C,D,E,F,
G,H
2W3R0.77
HPAHYPOXANTHINEA1QP40.77
HPAHYPOXANTHINEA,B,C3FNQ0.77
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DY80.9
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2HD10.9
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYN0.9
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYS0.9
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2YY20.9
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3ECN0.9
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYL0.9
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D1ZKN0.9
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B2R8Q0.9
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B,C,D,E,F,
G,H,I,J,K,L
1SOJ0.9
IBM3-ISOBUTYL-1-METHYLXANTHINEA,B3DYQ0.9
IBM3-ISOBUTYL-1-METHYLXANTHINEA1RKP0.9
IBM3-ISOBUTYL-1-METHYLXANTHINEA1ZKL0.9
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.75
XX1N~6~-7H-PURIN-6-YL-L-LYSINEA,B,C,D2OQF0.7