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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03252863

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.7
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.75
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.75
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.87
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.87
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.8
4NL4-AMINOPHENOLA2ORL0.73
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.71
4NC4-NITROCATECHOLA1NO30.77
4NC4-NITROCATECHOLB2BUU0.77
4NC4-NITROCATECHOLB2BUZ0.77
4NC4-NITROCATECHOLB1EOC0.77
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.9
DNC3,5-DINITROCATECHOLA3BWY0.71
DNC3,5-DINITROCATECHOLA3BWM0.71
DNC3,5-DINITROCATECHOLA1VID0.71
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.74
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
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.75
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.74
4NS4-nitrophenyl sulfateX2ZYU0.84
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.9
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.95
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.95
NPOP-NITROPHENOLA,B1Z440.83
NPOP-NITROPHENOLX2ZYW0.83
NPOP-NITROPHENOLH,L1YEK0.83
NPOP-NITROPHENOLA,C,E,G43CA0.83
NPOP-NITROPHENOLA1LS60.83
NPOP-NITROPHENOLX2ZVP0.83
NPOP-NITROPHENOLA,B2I100.83
NPOP-NITROPHENOLA1VAH0.83
NPOP-NITROPHENOLA,B3ETT0.83
NPOP-NITROPHENOLA,B2D200.83
NPOP-NITROPHENOLX2ZYV0.83
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.93
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.93
4NP4-NITROPHENYL PHOSPHATEA2I6P0.93
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.7
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.74
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.74
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.72
DNF2,4-DINITROPHENOLA,B2B160.78
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.78
DNF2,4-DINITROPHENOLA1GVO0.78
DNF2,4-DINITROPHENOLA,B2B150.78
DNF2,4-DINITROPHENOLA,B2B140.78
TNFPICRIC ACIDA1GVS0.75
TNFPICRIC ACIDX1VYP0.75
TNFPICRIC ACIDA1VYR0.75
TNFPICRIC ACIDX1VYS0.75
NCR2-NITRO-P-CRESOLA,B1AHV0.73