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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03217730

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AC2-AMINO-P-CRESOLH,I1A2C0.8
2AC2-AMINO-P-CRESOLA1L4M0.8
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.75
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.75
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.76
4NL4-AMINOPHENOLA2ORL0.85
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.71
NPOP-NITROPHENOLA,B1Z440.77
NPOP-NITROPHENOLX2ZYW0.77
NPOP-NITROPHENOLH,L1YEK0.77
NPOP-NITROPHENOLA,C,E,G43CA0.77
NPOP-NITROPHENOLA1LS60.77
NPOP-NITROPHENOLX2ZVP0.77
NPOP-NITROPHENOLA,B2I100.77
NPOP-NITROPHENOLA1VAH0.77
NPOP-NITROPHENOLA,B3ETT0.77
NPOP-NITROPHENOLA,B2D200.77
NPOP-NITROPHENOLX2ZYV0.77
4NC4-NITROCATECHOLA1NO30.71
4NC4-NITROCATECHOLB2BUU0.71
4NC4-NITROCATECHOLB2BUZ0.71
4NC4-NITROCATECHOLB1EOC0.71
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.7
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.71
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.72
4NS4-nitrophenyl sulfateX2ZYU0.85
TNFPICRIC ACIDA1GVS0.74
TNFPICRIC ACIDX1VYP0.74
TNFPICRIC ACIDA1VYR0.74
TNFPICRIC ACIDX1VYS0.74
DNF2,4-DINITROPHENOLA,B2B160.77
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.77
DNF2,4-DINITROPHENOLA1GVO0.77
DNF2,4-DINITROPHENOLA,B2B150.77
DNF2,4-DINITROPHENOLA,B2B140.77
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.75
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.77
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.77
4NP4-NITROPHENYL PHOSPHATEA2I6P0.77
NCR2-NITRO-P-CRESOLA,B1AHV0.73
2AF2-AMINOPHENOLA1L4N0.89
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