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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02129730

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HA19-(5,5-DIFLUORO-5-PHOSPHONOPENTYL)GUANINEA1V480.73
HGL(2S)-2-amino-4-(2-amino-6-oxo-1,6-
dihydro-9H-purin-9-yl)butanoic acid
A,B,C,D3C1P0.78
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.7
CFFCAFFEINEA,B1L5Q0.87
CFFCAFFEINEA,B2A3B0.87
CFFCAFFEINEA,B1L7X0.87
CFFCAFFEINEA1GFZ0.87
CFFCAFFEINEA,B3DDW0.87
CFFCAFFEINEA,B3DD10.87
CFFCAFFEINEA,B3DDS0.87
CFFCAFFEINEA1C8L0.87
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,D2B1G0.71
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.85
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.85
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.8
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.85
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.72
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.74
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.74
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
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.82
37TTHEOBROMINEA2EFJ0.87
ANG8-AMINOGUANINEA,C1M3Q0.7
ANG8-AMINOGUANINEA,E1LWV0.7
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.72
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.76
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.84
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,E1T390.71
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.78
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.78
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