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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02663312

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.74
4NL4-AMINOPHENOLA2ORL0.84
4NC4-NITROCATECHOLA1NO30.77
4NC4-NITROCATECHOLB2BUU0.77
4NC4-NITROCATECHOLB2BUZ0.77
4NC4-NITROCATECHOLB1EOC0.77
2AF2-AMINOPHENOLA1L4N0.83
DNC3,5-DINITROCATECHOLA3BWY0.71
DNC3,5-DINITROCATECHOLA3BWM0.71
DNC3,5-DINITROCATECHOLA1VID0.71
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
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.77
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.77
SOAISATOIC ANHYDRIDEA1BIO0.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.77
NCR2-NITRO-P-CRESOLA,B1AHV0.7
4NS4-nitrophenyl sulfateX2ZYU0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.77
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.77
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.77
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.77
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.77
2AC2-AMINO-P-CRESOLH,I1A2C0.78
2AC2-AMINO-P-CRESOLA1L4M0.78
EDREDROPHONIUM IONA1AX90.79
EDREDROPHONIUM IONA2ACK0.79
DNF2,4-DINITROPHENOLA,B2B160.7
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.7
DNF2,4-DINITROPHENOLA1GVO0.7
DNF2,4-DINITROPHENOLA,B2B150.7
DNF2,4-DINITROPHENOLA,B2B140.7