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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00017627

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.85
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.85
DNF2,4-DINITROPHENOLA,B2B160.83
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.83
DNF2,4-DINITROPHENOLA1GVO0.83
DNF2,4-DINITROPHENOLA,B2B150.83
DNF2,4-DINITROPHENOLA,B2B140.83
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.8
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.8
4NP4-NITROPHENYL PHOSPHATEA2I6P0.8
DNC3,5-DINITROCATECHOLA3BWY0.82
DNC3,5-DINITROCATECHOLA3BWM0.82
DNC3,5-DINITROCATECHOLA1VID0.82
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.73
NCR2-NITRO-P-CRESOLA,B1AHV0.76
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
TNFPICRIC ACIDA1GVS0.8
TNFPICRIC ACIDX1VYP0.8
TNFPICRIC ACIDA1VYR0.8
TNFPICRIC ACIDX1VYS0.8
EDREDROPHONIUM IONA1AX90.72
EDREDROPHONIUM IONA2ACK0.72
4NS4-nitrophenyl sulfateX2ZYU0.81
4NC4-NITROCATECHOLA1NO30.88
4NC4-NITROCATECHOLB2BUU0.88
4NC4-NITROCATECHOLB2BUZ0.88
4NC4-NITROCATECHOLB1EOC0.88
4NL4-AMINOPHENOLA2ORL0.83
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.7
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.77
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.86
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.74
2AF2-AMINOPHENOLA1L4N0.78
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.78
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.78
NPOP-NITROPHENOLA,B1Z440.88
NPOP-NITROPHENOLX2ZYW0.88
NPOP-NITROPHENOLH,L1YEK0.88
NPOP-NITROPHENOLA,C,E,G43CA0.88
NPOP-NITROPHENOLA1LS60.88
NPOP-NITROPHENOLX2ZVP0.88
NPOP-NITROPHENOLA,B2I100.88
NPOP-NITROPHENOLA1VAH0.88
NPOP-NITROPHENOLA,B3ETT0.88
NPOP-NITROPHENOLA,B2D200.88
NPOP-NITROPHENOLX2ZYV0.88
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.73
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.74
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.71