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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00528650

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.71
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.76
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.74
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.71
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.73
4NS4-nitrophenyl sulfateX2ZYU0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.83
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.83
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.83
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.83
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.83
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.74
NIYMETA-NITRO-TYROSINEA2ADP0.7
NIYMETA-NITRO-TYROSINEA3DIV0.7
NIYMETA-NITRO-TYROSINEA2H5U0.7
NIYMETA-NITRO-TYROSINEA1K4Q0.7
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.7
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.7
4NC4-NITROCATECHOLA1NO30.71
4NC4-NITROCATECHOLB2BUU0.71
4NC4-NITROCATECHOLB2BUZ0.71
4NC4-NITROCATECHOLB1EOC0.71
2AF2-AMINOPHENOLA1L4N0.72
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.77
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.73
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.74
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.71
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.71
TNFPICRIC ACIDA1GVS0.84
TNFPICRIC ACIDX1VYP0.84
TNFPICRIC ACIDA1VYR0.84
TNFPICRIC ACIDX1VYS0.84
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.7
NCR2-NITRO-P-CRESOLA,B1AHV0.74
NPOP-NITROPHENOLA,B1Z440.76
NPOP-NITROPHENOLX2ZYW0.76
NPOP-NITROPHENOLH,L1YEK0.76
NPOP-NITROPHENOLA,C,E,G43CA0.76
NPOP-NITROPHENOLA1LS60.76
NPOP-NITROPHENOLX2ZVP0.76
NPOP-NITROPHENOLA,B2I100.76
NPOP-NITROPHENOLA1VAH0.76
NPOP-NITROPHENOLA,B3ETT0.76
NPOP-NITROPHENOLA,B2D200.76
NPOP-NITROPHENOLX2ZYV0.76
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.7
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.72
DNC3,5-DINITROCATECHOLA3BWY0.78
DNC3,5-DINITROCATECHOLA3BWM0.78
DNC3,5-DINITROCATECHOLA1VID0.78
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.74
4NL4-AMINOPHENOLA2ORL0.71