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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009372

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.74
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.89
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.89
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.73
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.81
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.81
NPOP-NITROPHENOLA,B1Z440.93
NPOP-NITROPHENOLX2ZYW0.93
NPOP-NITROPHENOLH,L1YEK0.93
NPOP-NITROPHENOLA,C,E,G43CA0.93
NPOP-NITROPHENOLA1LS60.93
NPOP-NITROPHENOLX2ZVP0.93
NPOP-NITROPHENOLA,B2I100.93
NPOP-NITROPHENOLA1VAH0.93
NPOP-NITROPHENOLA,B3ETT0.93
NPOP-NITROPHENOLA,B2D200.93
NPOP-NITROPHENOLX2ZYV0.93
2AF2-AMINOPHENOLA1L4N0.81
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.79
TNFPICRIC ACIDA1GVS0.82
TNFPICRIC ACIDX1VYP0.82
TNFPICRIC ACIDA1VYR0.82
TNFPICRIC ACIDX1VYS0.82
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.72
NCR2-NITRO-P-CRESOLA,B1AHV0.83
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.74
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
4NC4-NITROCATECHOLA1NO30.93
4NC4-NITROCATECHOLB2BUU0.93
4NC4-NITROCATECHOLB2BUZ0.93
4NC4-NITROCATECHOLB1EOC0.93
2AC2-AMINO-P-CRESOLH,I1A2C0.73
2AC2-AMINO-P-CRESOLA1L4M0.73
DNC3,5-DINITROCATECHOLA3BWY0.85
DNC3,5-DINITROCATECHOLA3BWM0.85
DNC3,5-DINITROCATECHOLA1VID0.85
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
4NL4-AMINOPHENOLA2ORL0.82
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.79
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.73
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.73
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.77
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.77
DNF2,4-DINITROPHENOLA,B2B160.85
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.85
DNF2,4-DINITROPHENOLA1GVO0.85
DNF2,4-DINITROPHENOLA,B2B150.85
DNF2,4-DINITROPHENOLA,B2B140.85
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.84
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.84
4NP4-NITROPHENYL PHOSPHATEA2I6P0.84
4NS4-nitrophenyl sulfateX2ZYU0.85
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.72
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.78
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.93
EDREDROPHONIUM IONA1AX90.79
EDREDROPHONIUM IONA2ACK0.79
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.71
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.71