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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02338072

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.79
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.8
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.74
NINDINITROPHENYLENEA1RSM0.7
NINDINITROPHENYLENEA1GVY0.7
NINDINITROPHENYLENEA1GW10.7
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
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.79
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.79
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.71
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.71
TNFPICRIC ACIDA1GVS0.8
TNFPICRIC ACIDX1VYP0.8
TNFPICRIC ACIDA1VYR0.8
TNFPICRIC ACIDX1VYS0.8
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.71
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.71
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.71
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.7
2AF2-AMINOPHENOLA1L4N0.72
DNC3,5-DINITROCATECHOLA3BWY0.75
DNC3,5-DINITROCATECHOLA3BWM0.75
DNC3,5-DINITROCATECHOLA1VID0.75
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.86
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.86
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.91
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.86
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.86
4NP4-NITROPHENYL PHOSPHATEA2I6P0.86
4NS4-nitrophenyl sulfateX2ZYU0.91
4NC4-NITROCATECHOLA1NO30.8
4NC4-NITROCATECHOLB2BUU0.8
4NC4-NITROCATECHOLB2BUZ0.8
4NC4-NITROCATECHOLB1EOC0.8
NPOP-NITROPHENOLA,B1Z440.87
NPOP-NITROPHENOLX2ZYW0.87
NPOP-NITROPHENOLH,L1YEK0.87
NPOP-NITROPHENOLA,C,E,G43CA0.87
NPOP-NITROPHENOLA1LS60.87
NPOP-NITROPHENOLX2ZVP0.87
NPOP-NITROPHENOLA,B2I100.87
NPOP-NITROPHENOLA1VAH0.87
NPOP-NITROPHENOLA,B3ETT0.87
NPOP-NITROPHENOLA,B2D200.87
NPOP-NITROPHENOLX2ZYV0.87
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.73
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.81
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.81
NCR2-NITRO-P-CRESOLA,B1AHV0.75
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.81
4NL4-AMINOPHENOLA2ORL0.76
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.71