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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00074884

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.71
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.71
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.76
NPOP-NITROPHENOLA,B1Z440.75
NPOP-NITROPHENOLX2ZYW0.75
NPOP-NITROPHENOLH,L1YEK0.75
NPOP-NITROPHENOLA,C,E,G43CA0.75
NPOP-NITROPHENOLA1LS60.75
NPOP-NITROPHENOLX2ZVP0.75
NPOP-NITROPHENOLA,B2I100.75
NPOP-NITROPHENOLA1VAH0.75
NPOP-NITROPHENOLA,B3ETT0.75
NPOP-NITROPHENOLA,B2D200.75
NPOP-NITROPHENOLX2ZYV0.75
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.72
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.74
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.74
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.74
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.74
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
YOM2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-
)-N,N',O,O']-IRON
A,B1WZG0.7
2TY2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-
L-TYROSINE
A,B2CWV0.71
4NC4-NITROCATECHOLA1NO30.76
4NC4-NITROCATECHOLB2BUU0.76
4NC4-NITROCATECHOLB2BUZ0.76
4NC4-NITROCATECHOLB1EOC0.76
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.8
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.8
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.8
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.74
DNF2,4-DINITROPHENOLA,B2B160.72
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.72
DNF2,4-DINITROPHENOLA1GVO0.72
DNF2,4-DINITROPHENOLA,B2B150.72
DNF2,4-DINITROPHENOLA,B2B140.72
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.73
4NS4-nitrophenyl sulfateX2ZYU0.7
NCR2-NITRO-P-CRESOLA,B1AHV0.75
DNC3,5-DINITROCATECHOLA3BWY0.72
DNC3,5-DINITROCATECHOLA3BWM0.72
DNC3,5-DINITROCATECHOLA1VID0.72
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.7
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.75