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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03171217

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.81
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.78
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.78
NCR2-NITRO-P-CRESOLA,B1AHV0.82
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.74
TNFPICRIC ACIDA1GVS0.72
TNFPICRIC ACIDX1VYP0.72
TNFPICRIC ACIDA1VYR0.72
TNFPICRIC ACIDX1VYS0.72
2AC2-AMINO-P-CRESOLH,I1A2C0.73
2AC2-AMINO-P-CRESOLA1L4M0.73
4NC4-NITROCATECHOLA1NO30.81
4NC4-NITROCATECHOLB2BUU0.81
4NC4-NITROCATECHOLB2BUZ0.81
4NC4-NITROCATECHOLB1EOC0.81
DNF2,4-DINITROPHENOLA,B2B160.74
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.74
DNF2,4-DINITROPHENOLA1GVO0.74
DNF2,4-DINITROPHENOLA,B2B150.74
DNF2,4-DINITROPHENOLA,B2B140.74
DNC3,5-DINITROCATECHOLA3BWY0.75
DNC3,5-DINITROCATECHOLA3BWM0.75
DNC3,5-DINITROCATECHOLA1VID0.75
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.73
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.73
4NP4-NITROPHENYL PHOSPHATEA2I6P0.73
4NS4-nitrophenyl sulfateX2ZYU0.74
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.76
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.74
2AF2-AMINOPHENOLA1L4N0.7
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.73
NPOP-NITROPHENOLA,B1Z440.81
NPOP-NITROPHENOLX2ZYW0.81
NPOP-NITROPHENOLH,L1YEK0.81
NPOP-NITROPHENOLA,C,E,G43CA0.81
NPOP-NITROPHENOLA1LS60.81
NPOP-NITROPHENOLX2ZVP0.81
NPOP-NITROPHENOLA,B2I100.81
NPOP-NITROPHENOLA1VAH0.81
NPOP-NITROPHENOLA,B3ETT0.81
NPOP-NITROPHENOLA,B2D200.81
NPOP-NITROPHENOLX2ZYV0.81
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.76
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.76
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.76
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.75
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.82
4NB4-NITROBENZOIC ACIDA,B3CHT0.72
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
4NL4-AMINOPHENOLA2ORL0.71