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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02418735

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.87
DMBA,B1SRI0.72
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.72
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.72
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
GN8(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-
2-THIOXOTHIAZOLIDIN-4-ONE
A,B,C,D,E,F2P6F0.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.76
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.74
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.74
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.74
TY23-AMINO-L-TYROSINEA,B2VH30.77
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
4NL4-AMINOPHENOLA2ORL0.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
DNC3,5-DINITROCATECHOLA3BWY0.71
DNC3,5-DINITROCATECHOLA3BWM0.71
DNC3,5-DINITROCATECHOLA1VID0.71
AZY3-AZIDO-L-TYROSINEA2YXN0.76
NIYMETA-NITRO-TYROSINEA2ADP0.78
NIYMETA-NITRO-TYROSINEA3DIV0.78
NIYMETA-NITRO-TYROSINEA2H5U0.78
NIYMETA-NITRO-TYROSINEA1K4Q0.78
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.78
NCR2-NITRO-P-CRESOLA,B1AHV0.9
TNFPICRIC ACIDA1GVS0.77
TNFPICRIC ACIDX1VYP0.77
TNFPICRIC ACIDA1VYR0.77
TNFPICRIC ACIDX1VYS0.77
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
2AF2-AMINOPHENOLA1L4N0.77
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.79
SOAISATOIC ANHYDRIDEA1BIO0.72
DNF2,4-DINITROPHENOLA,B2B160.77
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.77
DNF2,4-DINITROPHENOLA1GVO0.77
DNF2,4-DINITROPHENOLA,B2B150.77
DNF2,4-DINITROPHENOLA,B2B140.77
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.7
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.78
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.71
NPOP-NITROPHENOLA,B1Z440.76
NPOP-NITROPHENOLX2ZYW0.76
NPOP-NITROPHENOLH,L1YEK0.76
NPOP-NITROPHENOLA,C,E,G43CA0.76
NPOP-NITROPHENOLA1LS60.76
NPOP-NITROPHENOLX2ZVP0.76
NPOP-NITROPHENOLA,B2I100.76
NPOP-NITROPHENOLA1VAH0.76
NPOP-NITROPHENOLA,B3ETT0.76
NPOP-NITROPHENOLA,B2D200.76
NPOP-NITROPHENOLX2ZYV0.76
2AC2-AMINO-P-CRESOLH,I1A2C0.86
2AC2-AMINO-P-CRESOLA1L4M0.86
MHBA,B1SRG0.7