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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02233522

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AF2-AMINOPHENOLA1L4N0.79
4NL4-AMINOPHENOLA2ORL0.84
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.73
4NS4-nitrophenyl sulfateX2ZYU0.76
4NC4-NITROCATECHOLA1NO30.71
4NC4-NITROCATECHOLB2BUU0.71
4NC4-NITROCATECHOLB2BUZ0.71
4NC4-NITROCATECHOLB1EOC0.71
DNF2,4-DINITROPHENOLA,B2B160.72
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.72
DNF2,4-DINITROPHENOLA1GVO0.72
DNF2,4-DINITROPHENOLA,B2B150.72
DNF2,4-DINITROPHENOLA,B2B140.72
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.7
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.7
4NP4-NITROPHENYL PHOSPHATEA2I6P0.7
NPOP-NITROPHENOLA,B1Z440.76
NPOP-NITROPHENOLX2ZYW0.76
NPOP-NITROPHENOLH,L1YEK0.76
NPOP-NITROPHENOLA,C,E,G43CA0.76
NPOP-NITROPHENOLA1LS60.76
NPOP-NITROPHENOLX2ZVP0.76
NPOP-NITROPHENOLA,B2I100.76
NPOP-NITROPHENOLA1VAH0.76
NPOP-NITROPHENOLA,B3ETT0.76
NPOP-NITROPHENOLA,B2D200.76
NPOP-NITROPHENOLX2ZYV0.76
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.74