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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01737869

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,E1T390.73
5AC5-amino-1H-imidazole-4-carboxamideA,B3CL80.74
CFFCAFFEINEA,B1L5Q0.88
CFFCAFFEINEA,B2A3B0.88
CFFCAFFEINEA,B1L7X0.88
CFFCAFFEINEA1GFZ0.88
CFFCAFFEINEA,B3DDW0.88
CFFCAFFEINEA,B3DD10.88
CFFCAFFEINEA,B3DDS0.88
CFFCAFFEINEA1C8L0.88
3DG9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINEE1V450.71
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
AGD3-(2-amino-6-oxo-1,6-dihydro-9H-
purin-9-yl)-D-alanine
A,B,C,D3C1P0.83
AC29-HYROXYETHOXYMETHYLGUANINEA,B2KI50.76
AC29-HYROXYETHOXYMETHYLGUANINEE1PWY0.76
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D,E,F,
G,H
1QPY0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1RRU0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1PDT0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1PUP0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B1XJ90.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A176D0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B,C,D1HZS0.79
APN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
ADENINE
A,B2K4G0.79
ADK3-METHYL-3H-PURIN-6-YLAMINEA,B2OFI0.7
ADK3-METHYL-3H-PURIN-6-YLAMINEA1P7M0.7
GUNGUANINEA,B1IT70.75
GUNGUANINEA,B,C,D3BP10.75
GUNGUANINEA1XT40.75
GUNGUANINEA1ULB0.75
GUNGUANINEA,B2I9U0.75
GUNGUANINEA2JH90.75
GUNGUANINEE1V2H0.75
GUNGUANINEA2JHA0.75
GUNGUANINEA,B,C,D1A950.75
GUNGUANINEA,B,C1XE70.75
GUNGUANINEA,B,C1YQQ0.75
GUNGUANINEA,B1D6A0.75
GUNGUANINEA1WET0.75
GUNGUANINEA2PUF0.75
GUNGUANINEA,B,D,F,G,H,
I,J,L,M,O,P
1SQL0.75
GUNGUANINEA,B,C1VMK0.75
GUNGUANINEA,B,C1YQU0.75
GUNGUANINEA2JHC0.75
GUNGUANINEA2JH80.75
GUNGUANINEA2JHP0.75
GUNGUANINEA2PUC0.75
GUNGUANINEA,B,C,D,E,F,
G,H
1XY30.75
GUNGUANINEA,B,C,D,E,F2O740.75
GUNGUANINEA2PWU0.75
GUNGUANINEA2OOD0.75
GUNGUANINEA2POT0.75
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU30.78
2031,5-DIHYDROIMIDAZO[4,5-C][1,2,6]THIADIAZIN-
4(3H)-ONE 2,2-DIOXIDE
A,B2IU00.78
GMPGUANOSINEA2GBH0.7
GMPGUANOSINEA1IH70.7
GMPGUANOSINEA2QVN0.7
GMPGUANOSINEA,B1WAF0.7
GMPGUANOSINEA,B,C,D,E,F1JE10.7
GMPGUANOSINEA3DMH0.7
GMPGUANOSINEE1RFG0.7
GMPGUANOSINEA2FQX0.7
GMPGUANOSINEA3CFO0.7
GMPGUANOSINEA,B2AN90.7
GMPGUANOSINEA,B,C,D,E,F1ODJ0.7
37TTHEOBROMINEA2EFJ0.9
GA29-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINEA,B1KI20.75
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D,E,F,
G,H
1QPY0.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1RRU0.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1PDT0.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1PUP0.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
B1NR80.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B1XJ90.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A176D0.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B,C,D1HZS0.87
GPN2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-
GUANINE
A,B2K4G0.87
H338-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-
1H-PURINE-2,6-DIONE
A2UY30.82
GU72-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-
ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-
PURIN-6-ONE
A1FXU0.79
2098-AMINO-1,3-DIMETHYL-3,7-DIHYDROPURINE-
2,6-DIONE
A1RS20.83
D1H1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-
3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
A,B2IUZ0.85
A662-AMINOETHYLLYSINE-CARBONYLMETHYLENE-
ADENINE
B1NR80.73