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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02217956

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPOP-NITROPHENOLA,B1Z440.85
NPOP-NITROPHENOLX2ZYW0.85
NPOP-NITROPHENOLH,L1YEK0.85
NPOP-NITROPHENOLA,C,E,G43CA0.85
NPOP-NITROPHENOLA1LS60.85
NPOP-NITROPHENOLX2ZVP0.85
NPOP-NITROPHENOLA,B2I100.85
NPOP-NITROPHENOLA1VAH0.85
NPOP-NITROPHENOLA,B3ETT0.85
NPOP-NITROPHENOLA,B2D200.85
NPOP-NITROPHENOLX2ZYV0.85
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.76
DNF2,4-DINITROPHENOLA,B2B160.8
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.8
DNF2,4-DINITROPHENOLA1GVO0.8
DNF2,4-DINITROPHENOLA,B2B150.8
DNF2,4-DINITROPHENOLA,B2B140.8
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.89
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.72
2AF2-AMINOPHENOLA1L4N0.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.82
4NL4-AMINOPHENOLA2ORL0.75
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.78
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.78
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
4NS4-nitrophenyl sulfateX2ZYU0.88
TNFPICRIC ACIDA1GVS0.77
TNFPICRIC ACIDX1VYP0.77
TNFPICRIC ACIDA1VYR0.77
TNFPICRIC ACIDX1VYS0.77
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.73
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
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
DNC3,5-DINITROCATECHOLA3BWY0.73
DNC3,5-DINITROCATECHOLA3BWM0.73
DNC3,5-DINITROCATECHOLA1VID0.73
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.72
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.92
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.92
4NP4-NITROPHENYL PHOSPHATEA2I6P0.92
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.7
4NC4-NITROCATECHOLA1NO30.79
4NC4-NITROCATECHOLB2BUU0.79
4NC4-NITROCATECHOLB2BUZ0.79
4NC4-NITROCATECHOLB1EOC0.79
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.93
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.93
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.89
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.72
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.72
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.72
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.72
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.72
NCR2-NITRO-P-CRESOLA,B1AHV0.75
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.72
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.84
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.84