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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010000

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.9
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.9
4NP4-NITROPHENYL PHOSPHATEA2I6P0.9
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.88
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.88
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.75
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.81
TNFPICRIC ACIDA1GVS0.82
TNFPICRIC ACIDX1VYP0.82
TNFPICRIC ACIDA1VYR0.82
TNFPICRIC ACIDX1VYS0.82
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.81
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.8
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.8
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.71
4NC4-NITROCATECHOLA1NO30.84
4NC4-NITROCATECHOLB2BUU0.84
4NC4-NITROCATECHOLB2BUZ0.84
4NC4-NITROCATECHOLB1EOC0.84
NPOP-NITROPHENOLA,B1Z440.91
NPOP-NITROPHENOLX2ZYW0.91
NPOP-NITROPHENOLH,L1YEK0.91
NPOP-NITROPHENOLA,C,E,G43CA0.91
NPOP-NITROPHENOLA1LS60.91
NPOP-NITROPHENOLX2ZVP0.91
NPOP-NITROPHENOLA,B2I100.91
NPOP-NITROPHENOLA1VAH0.91
NPOP-NITROPHENOLA,B3ETT0.91
NPOP-NITROPHENOLA,B2D200.91
NPOP-NITROPHENOLX2ZYV0.91
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
NINDINITROPHENYLENEA1RSM0.71
NINDINITROPHENYLENEA1GVY0.71
NINDINITROPHENYLENEA1GW10.71
4NL4-AMINOPHENOLA2ORL0.8
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.7
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.8
NCR2-NITRO-P-CRESOLA,B1AHV0.78
DNF2,4-DINITROPHENOLA,B2B160.85
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.85
DNF2,4-DINITROPHENOLA1GVO0.85
DNF2,4-DINITROPHENOLA,B2B150.85
DNF2,4-DINITROPHENOLA,B2B140.85
NBZNITROBENZENEA,B2BMQ0.73
NBZNITROBENZENEA,B3BGU0.73
4NS4-nitrophenyl sulfateX2ZYU1
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.85
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.88
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.88
DNC3,5-DINITROCATECHOLA3BWY0.77
DNC3,5-DINITROCATECHOLA3BWM0.77
DNC3,5-DINITROCATECHOLA1VID0.77
2AF2-AMINOPHENOLA1L4N0.75
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C1KRV0.7
1471-O-[P-NITROPHENYL]-BETA-D-GALACTOPYRANOSEA,B,C,D1JYW0.7
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.7
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.7