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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00737875

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.73
4NL4-AMINOPHENOLA2ORL0.74
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.7
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.7
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.72
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
2AF2-AMINOPHENOLA1L4N0.76
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.71
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.71
TNFPICRIC ACIDA1GVS0.83
TNFPICRIC ACIDX1VYP0.83
TNFPICRIC ACIDA1VYR0.83
TNFPICRIC ACIDX1VYS0.83
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.74
4NC4-NITROCATECHOLA1NO30.74
4NC4-NITROCATECHOLB2BUU0.74
4NC4-NITROCATECHOLB2BUZ0.74
4NC4-NITROCATECHOLB1EOC0.74
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.72
EDREDROPHONIUM IONA1AX90.72
EDREDROPHONIUM IONA2ACK0.72
DNC3,5-DINITROCATECHOLA3BWY0.79
DNC3,5-DINITROCATECHOLA3BWM0.79
DNC3,5-DINITROCATECHOLA1VID0.79
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.73
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.73
4NP4-NITROPHENYL PHOSPHATEA2I6P0.73
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.77
4NS4-nitrophenyl sulfateX2ZYU0.74
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.78
B4Nbis(4-nitrophenyl) hydrogen phosphateA3DH80.72
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.74
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.77
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.77
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.77
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.77
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.77
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.7
NCR2-NITRO-P-CRESOLA,B1AHV0.74
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.75
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.7
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.74
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.76
NPOP-NITROPHENOLA,B1Z440.79
NPOP-NITROPHENOLX2ZYW0.79
NPOP-NITROPHENOLH,L1YEK0.79
NPOP-NITROPHENOLA,C,E,G43CA0.79
NPOP-NITROPHENOLA1LS60.79
NPOP-NITROPHENOLX2ZVP0.79
NPOP-NITROPHENOLA,B2I100.79
NPOP-NITROPHENOLA1VAH0.79
NPOP-NITROPHENOLA,B3ETT0.79
NPOP-NITROPHENOLA,B2D200.79
NPOP-NITROPHENOLX2ZYV0.79
DNF2,4-DINITROPHENOLA,B2B160.86
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.86
DNF2,4-DINITROPHENOLA1GVO0.86
DNF2,4-DINITROPHENOLA,B2B150.86
DNF2,4-DINITROPHENOLA,B2B140.86