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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03089102

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NS4-nitrophenyl sulfateX2ZYU0.82
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.81
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.81
TNFPICRIC ACIDA1GVS0.81
TNFPICRIC ACIDX1VYP0.81
TNFPICRIC ACIDA1VYR0.81
TNFPICRIC ACIDX1VYS0.81
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.7
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.81
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.81
4NP4-NITROPHENYL PHOSPHATEA2I6P0.81
TN25-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOLA,B1ZSN0.7
HABA,B1SRE0.7
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.8
NPOP-NITROPHENOLA,B1Z440.9
NPOP-NITROPHENOLX2ZYW0.9
NPOP-NITROPHENOLH,L1YEK0.9
NPOP-NITROPHENOLA,C,E,G43CA0.9
NPOP-NITROPHENOLA1LS60.9
NPOP-NITROPHENOLX2ZVP0.9
NPOP-NITROPHENOLA,B2I100.9
NPOP-NITROPHENOLA1VAH0.9
NPOP-NITROPHENOLA,B3ETT0.9
NPOP-NITROPHENOLA,B2D200.9
NPOP-NITROPHENOLX2ZYV0.9
DNF2,4-DINITROPHENOLA,B2B160.84
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.84
DNF2,4-DINITROPHENOLA1GVO0.84
DNF2,4-DINITROPHENOLA,B2B150.84
DNF2,4-DINITROPHENOLA,B2B140.84
NCR2-NITRO-P-CRESOLA,B1AHV0.77
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.78
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.78
PNA4'-NITROPHENYL-ALPHA-D-MANNOPYRANOSIDEA,B,C,D1VAM0.7
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.85
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.71
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.73
4NL4-AMINOPHENOLA2ORL0.79
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.78
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.74
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
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.79
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.79
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA2ZOX0.7
PNG4'-NITROPHENYL-ALPHA-D-GLUCOPYRANOSIDEA,B,C,D1VAL0.7
4NC4-NITROCATECHOLA1NO30.82
4NC4-NITROCATECHOLB2BUU0.82
4NC4-NITROCATECHOLB2BUZ0.82
4NC4-NITROCATECHOLB1EOC0.82
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.76
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.72