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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03218592

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AMADENOSINE-2'-MONOPHOSPHATEA7RNT0.77
2AMADENOSINE-2'-MONOPHOSPHATEA1PGQ0.77
2AMADENOSINE-2'-MONOPHOSPHATEA6RNT0.77
2AMADENOSINE-2'-MONOPHOSPHATEA1RGK0.77
26A6N-DIMETHYLADENOSINEA2A9Y0.77
26A6N-DIMETHYLADENOSINEA2A9Z0.77
103A,B,C1CUL0.75
2BAA3C210.7
2BAA3C1Y0.7
1AP2,6-DIAMINOPURINE NUCLEOTIDEA1S1K0.76
1AP2,6-DIAMINOPURINE NUCLEOTIDEA,B1D760.76
1AP2,6-DIAMINOPURINE NUCLEOTIDEA,M1ZAY0.76
1AP2,6-DIAMINOPURINE NUCLEOTIDEA211D0.76
1AP2,6-DIAMINOPURINE NUCLEOTIDEC,E3C290.76
1AP2,6-DIAMINOPURINE NUCLEOTIDEA210D0.76
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.74
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1T7P0.74
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,X2PYL0.74
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1SKR0.74
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL10.74
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL20.74
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1TK80.74
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,H,P1R0A0.74
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B1QSY0.74
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.74
3AD3'-DEOXYADENOSINEA,B3B4B0.8
3AD3'-DEOXYADENOSINEA,B3B4C0.8
3AD3'-DEOXYADENOSINEA,B1FA00.8
2SA2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-
TETRAHYDRO-FURAN-2-YL)-9H-PURIN-
6-YLAMINO]-SUCCINIC ACID
B2PTR0.76
2SA2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-
TETRAHYDRO-FURAN-2-YL)-9H-PURIN-
6-YLAMINO]-SUCCINIC ACID
A,B,C,D2VD60.76
2SA2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-
TETRAHYDRO-FURAN-2-YL)-9H-PURIN-
6-YLAMINO]-SUCCINIC ACID
A1MEZ0.76
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.75
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.78
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.78
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.78
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.78
3AM[(2R,3S,4R,5R)-5-(6-aminopurin-
9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-
3-yl] dihydrogen phosphate
A3C0I0.77
3AM[(2R,3S,4R,5R)-5-(6-aminopurin-
9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-
3-yl] dihydrogen phosphate
A,B3C0G0.77
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1P0.71
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBS0.71
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1R0.71
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
R,S1U1Y0.71
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBT0.71
101A,B,C1CS40.76
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA1EXL0.72
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA,B1FYI0.72
2BUA1U6C0.75
2BUA1U6O0.75
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B1GAG0.73
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
B,C2G2F0.73
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B,C,D,E,F,
G,H
2G1T0.73
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B2GS60.73
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B,E,F1RQQ0.73
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A,B,C3GGS0.79
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A1Z340.79
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A,B,C1PKE0.79
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A1Z350.79
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A2PKK0.79
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C,D2ZJ00.79
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C1PK90.79
2VA2'-(L-VALYL)AMINO-2'-DEOXYADENOSINEA1WNZ0.74