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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03081051

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2CP2-CARBOXYPROPYL-COENZYME AA1EF90.71
2CP2-CARBOXYPROPYL-COENZYME AA,B,C,D7REQ0.71
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
101A,B,C1CS40.78
2BAA3C210.73
2BAA3C1Y0.73
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
103A,B,C1CUL0.77
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1P0.74
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBS0.74
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
B1U1R0.74
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
R,S1U1Y0.74
2PR2-AMINO-9-[2-DEOXYRIBOFURANOSYL]-
9H-PURINE-5'-MONOPHOSPHATE
A,B,C,D,E,F2IBT0.74
2VA2'-(L-VALYL)AMINO-2'-DEOXYADENOSINEA1WNZ0.78
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A,B,C3GGS0.8
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A1Z340.8
2FD5-(6-AMINO-2-FLUORO-PURIN-9-YL)-
2-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-OL
A,B,C1PKE0.8
2AMADENOSINE-2'-MONOPHOSPHATEA7RNT0.79
2AMADENOSINE-2'-MONOPHOSPHATEA1PGQ0.79
2AMADENOSINE-2'-MONOPHOSPHATEA6RNT0.79
2AMADENOSINE-2'-MONOPHOSPHATEA1RGK0.79
2BUA1U6C0.77
2BUA1U6O0.77
1AP2,6-DIAMINOPURINE NUCLEOTIDEA1S1K0.78
1AP2,6-DIAMINOPURINE NUCLEOTIDEA,B1D760.78
1AP2,6-DIAMINOPURINE NUCLEOTIDEA,M1ZAY0.78
1AP2,6-DIAMINOPURINE NUCLEOTIDEA211D0.78
1AP2,6-DIAMINOPURINE NUCLEOTIDEC,E3C290.78
1AP2,6-DIAMINOPURINE NUCLEOTIDEA210D0.78
12A2-METHYLTHIO-N6-(AMINOCARBONYL-
L-THREONYL)-ADENOSINE-5'-MONOPHOSPHATE
A1FIR0.75
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA1EXL0.75
2AR2'-DEOXYARISTEROMYCIN-5'-PHOSPHATEA,B1FYI0.75
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B1GAG0.75
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
B,C2G2F0.75
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B,C,D,E,F,
G,H
2G1T0.75
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B2GS60.75
112THIOPHOSPHORIC ACID O-((ADENOSYL-
PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER
A,B,E,F1RQQ0.75
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A1Z350.81
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A2PKK0.81
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C,D2ZJ00.81
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C1PK90.81
2AD2'-AMINO-2'-DEOXYADENOSINEA,D2BTE0.79
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2H0X0.79
2AD2'-AMINO-2'-DEOXYADENOSINEA,B2GCS0.79
2AD2'-AMINO-2'-DEOXYADENOSINEA1OBC0.79
2SA2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-
TETRAHYDRO-FURAN-2-YL)-9H-PURIN-
6-YLAMINO]-SUCCINIC ACID
B2PTR0.78
2SA2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-
TETRAHYDRO-FURAN-2-YL)-9H-PURIN-
6-YLAMINO]-SUCCINIC ACID
A,B,C,D2VD60.78
2SA2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-
TETRAHYDRO-FURAN-2-YL)-9H-PURIN-
6-YLAMINO]-SUCCINIC ACID
A1MEZ0.78
26A6N-DIMETHYLADENOSINEA2A9Y0.8
26A6N-DIMETHYLADENOSINEA2A9Z0.8