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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02425428

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B1GAG0.71
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
B,C2G2F0.71
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B,C,D,E,F,
G,H
2G1T0.71
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B2GS60.71
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B,E,F1RQQ0.71
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
103A,B,C1CUL0.74
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
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1P0.72
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBS0.72
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1R0.72
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
R,S1U1Y0.72
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBT0.72
26A6N-DIMETHYLADENOSINEA2A9Y0.78
26A6N-DIMETHYLADENOSINEA2A9Z0.78
3AD3'-DEOXYADENOSINEA,B3B4B0.79
3AD3'-DEOXYADENOSINEA,B3B4C0.79
3AD3'-DEOXYADENOSINEA,B1FA00.79
39A6-AMINO-3,9-DIMETHYL-9H-PURIN-3-
IUM
A,B1PU70.74
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA1EXL0.81
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA,B1FYI0.81
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
2VA2'-(L-VALYL)AMINO-2'-DEOXYADENOSINEA1WNZ0.78
2BAA3C210.71
2BAA3C1Y0.71
2BUA1U6C0.77
2BUA1U6O0.77
101A,B,C1CS40.76
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,D,E,H,J3GIJ0.76
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1T7P0.76
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,X2PYL0.76
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P1SKR0.76
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL10.76
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1SL20.76
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1TK80.76
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B,H,P1R0A0.76
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,B1QSY0.76
2DA2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATEA,P,T1MQ20.76
2SA2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-
TETRAHYDRO-FURAN-2-YL)-9H-PURIN-
6-YLAMINO]-SUCCINIC ACID
B2PTR0.72
2SA2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-
TETRAHYDRO-FURAN-2-YL)-9H-PURIN-
6-YLAMINO]-SUCCINIC ACID
A,B,C,D2VD60.72
2SA2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-
TETRAHYDRO-FURAN-2-YL)-9H-PURIN-
6-YLAMINO]-SUCCINIC ACID
A1MEZ0.72
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
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.81
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.81
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.81
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.81