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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03189222

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5I57-(5-DEOXY-BETA-D-RIBOFURANOSYL)-
5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-
4-AMINE
A,B,C,D2I6A0.82
2VA2'-(L-VALYL)AMINO-2'-DEOXYADENOSINEA1WNZ0.71
5ID(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-
5-(HYDROXYMETHYL)TETRAHYDROFURAN-
3,4-DIOL
A,B2ZOQ0.85
5ID(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-
5-(HYDROXYMETHYL)TETRAHYDROFURAN-
3,4-DIOL
A2VUW0.85
5ID(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-
5-(HYDROXYMETHYL)TETRAHYDROFURAN-
3,4-DIOL
A,B,C,D2C470.85
DBM9-(6-DEOXY-BETA-D-ALLOFURANOSYL)-
6-METHYLPURINE
A,B,C1OV60.72
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZH0.72
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B2QEF0.77
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,C1YQM0.77
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B2QEG0.77
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEB1U1M0.77
52H5'-O-{[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl}adenosineA,B3COW0.71
ADNADENOSINEA2JC90.72
ADNADENOSINEA1PG20.72
ADNADENOSINEA,B,C2ZBV0.72
ADNADENOSINEA2DOJ0.72
ADNADENOSINEA,B,C,D1RMT0.72
ADNADENOSINEA,B2C490.72
ADNADENOSINEA,B,C,D3G1U0.72
ADNADENOSINEA,B1Q970.72
ADNADENOSINEA1N3Z0.72
ADNADENOSINEE1FMO0.72
ADNADENOSINEA,B1HO50.72
ADNADENOSINEA,B,C,D2ZBU0.72
ADNADENOSINEA1MRG0.72
ADNADENOSINEA,B,C2EJF0.72
ADNADENOSINEA1MUO0.72
ADNADENOSINEA,B,C,D,E,F1VHW0.72
ADNADENOSINEA,B,C,D,E,F1JDV0.72
ADNADENOSINEA,B1UAY0.72
ADNADENOSINEA1LIK0.72
ADNADENOSINEA,B,C,D3CE60.72
ADNADENOSINEA,B2EJG0.72
ADNADENOSINEA2PKM0.72
ADNADENOSINEA1YI40.72
ADNADENOSINEA1LII0.72
ADNADENOSINEA2EVA0.72
ADNADENOSINEA2Q6K0.72
ADNADENOSINEA1BX40.72
ADNADENOSINEA,B2AC70.72
ADNADENOSINEA,B2B8J0.72
ADNADENOSINEA2FQY0.72
ADNADENOSINEA1Z370.72
ADNADENOSINEA1MRJ0.72
ADNADENOSINEA,B,C1PK70.72
ADNADENOSINEA2PGF0.72
ADNADENOSINEA,B2ZGW0.72
ADNADENOSINEA,B,C,D1JG30.72
ADNADENOSINEA,B,C1WU80.72
ADNADENOSINEA,B,C,D1XWF0.72
ADNADENOSINEA,B,C,D1V8B0.72
ADNADENOSINEA3REQ0.72
ADNADENOSINEA,B2A8T0.72
ADNADENOSINEA1JG20.72
ADNADENOSINEA,B2Q830.72
ADNADENOSINEA,B2B820.72
ADNADENOSINEA,B,C,D,E,F2GL00.72
ADNADENOSINEA,B2W030.72
ADNADENOSINEA,B,C,D1D4F0.72
ADNADENOSINEA,B2OA10.72
ADNADENOSINEA1DGM0.72
ADNADENOSINEA,B,C,D,E,F1ODI0.72
ADNADENOSINEA3FUU0.72
7DA7-DEAZA-2'-DEOXYADENOSINE-5'-MONOPHOSPHATEB1U1K0.79
C8M3-[{[(2R,3S,4R,5R)-5-(6-amino-8-
methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-
2-yl]methyl}(methyl)amino]propanamide
A,B3DZ40.72
53H5'-O-[(3-methyl-D-valyl)sulfamoyl]adenosineA,B3COY0.71
ADY3'-OXO-ADENOSINEA,B,C,D1KY50.71
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
8IDNICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDEA,B,C,D2HCY0.71
3AD3'-DEOXYADENOSINEA,B3B4B0.71
3AD3'-DEOXYADENOSINEA,B3B4C0.71
3AD3'-DEOXYADENOSINEA,B1FA00.71
LMS[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-
9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-
FURANYL]METHYL SULFAMATE
A1OBC0.7
LMS[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-
9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-
FURANYL]METHYL SULFAMATE
A2V0C0.7
LMS[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-
9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-
FURANYL]METHYL SULFAMATE
A1H3N0.7
LMS[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-
9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-
FURANYL]METHYL SULFAMATE
A1OBH0.7
54H5'-O-(D-valylsulfamoyl)adenosineA,B3COZ0.72
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA2ZTG0.71
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA1NJ60.71
A5A'5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINEA2Z0K0.71
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A1Z350.71
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A2PKK0.71
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C,D2ZJ00.71
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C1PK90.71
A3SSERINE-3'-AMINOADENOSINEA2HL00.7
A3SSERINE-3'-AMINOADENOSINEA,B2HL10.7
A3SSERINE-3'-AMINOADENOSINEA1TKY0.7