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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03175507

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.74
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.74
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.74
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.74
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A,B,C3GGS0.75
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A1Z340.75
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A,B,C1PKE0.75
3AM[(2R,3S,4R,5R)-5-(6-aminopurin-
9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-
3-yl] dihydrogen phosphate
A3C0I0.75
3AM[(2R,3S,4R,5R)-5-(6-aminopurin-
9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-
3-yl] dihydrogen phosphate
A,B3C0G0.75
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZH0.78
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A2ZI40.75
3L1(2S,3R,5S)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI50.75
101A,B,C1CS40.73
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A1Z350.77
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A2PKK0.77
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C,D2ZJ00.77
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C1PK90.77
2AMADENOSINE-2'-MONOPHOSPHATEA7RNT0.75
2AMADENOSINE-2'-MONOPHOSPHATEA1PGQ0.75
2AMADENOSINE-2'-MONOPHOSPHATEA6RNT0.75
2AMADENOSINE-2'-MONOPHOSPHATEA1RGK0.75
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1P0.76
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBS0.76
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1R0.76
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
R,S1U1Y0.76
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBT0.76
3AT3'-DEOXYADENOSINE-5'-TRIPHOSPHATEA,B1FA00.73
3AT3'-DEOXYADENOSINE-5'-TRIPHOSPHATEA1Q790.73
3AT3'-DEOXYADENOSINE-5'-TRIPHOSPHATEA,B,C,D,E,F,
O,P,Q,R,S,T
1XFV0.73
3AT3'-DEOXYADENOSINE-5'-TRIPHOSPHATEA,B3C230.73
3AT3'-DEOXYADENOSINE-5'-TRIPHOSPHATEA,B,C,D,E,F1K900.73
3AT3'-DEOXYADENOSINE-5'-TRIPHOSPHATEA1F5A0.73
3AT3'-DEOXYADENOSINE-5'-TRIPHOSPHATEA1Q780.73
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C1S2G0.75
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C2C5H0.75
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2Z3M0.75
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B,C,D2ZI60.75
3D1(2R,3S,5R)-5-(6-amino-9H-purin-
9-yl)-tetrahydro-2-(hydroxymethyl)furan-
3-ol
A,B2ZI30.75
2BUA1U6C0.72
2BUA1U6O0.72
54H5'-O-(D-valylsulfamoyl)adenosineA,B3COZ0.7
26A6N-DIMETHYLADENOSINEA2A9Y0.76
26A6N-DIMETHYLADENOSINEA2A9Z0.76
3ANA,B,C1HIY0.72
5AAN6-DIMETHYL-3'-AMINO-ADENOSINE-
5'-MONOPHOSPHATE
0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.72
5AAN6-DIMETHYL-3'-AMINO-ADENOSINE-
5'-MONOPHOSPHATE
0,1,3,4,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1VQ70.72
5AAN6-DIMETHYL-3'-AMINO-ADENOSINE-
5'-MONOPHOSPHATE
0,1,2,3,4,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ50.72
5AAN6-DIMETHYL-3'-AMINO-ADENOSINE-
5'-MONOPHOSPHATE
0,1,3,4,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1VQ40.72
3AD3'-DEOXYADENOSINEA,B3B4B0.77
3AD3'-DEOXYADENOSINEA,B3B4C0.77
3AD3'-DEOXYADENOSINEA,B1FA00.77
3DA3'-DEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D2P7F0.75
3DA3'-DEOXYADENOSINE-5'-MONOPHOSPHATED,R1S770.75
1AP2,6-DIAMINOPURINE NUCLEOTIDEA1S1K0.73
1AP2,6-DIAMINOPURINE NUCLEOTIDEA,B1D760.73
1AP2,6-DIAMINOPURINE NUCLEOTIDEA,M1ZAY0.73
1AP2,6-DIAMINOPURINE NUCLEOTIDEA211D0.73
1AP2,6-DIAMINOPURINE NUCLEOTIDEC,E3C290.73
1AP2,6-DIAMINOPURINE NUCLEOTIDEA210D0.73