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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00528714

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.79
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.79
4NL4-AMINOPHENOLA2ORL0.73
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.7
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.88
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.8
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.7
NPOP-NITROPHENOLA,B1Z440.7
NPOP-NITROPHENOLX2ZYW0.7
NPOP-NITROPHENOLH,L1YEK0.7
NPOP-NITROPHENOLA,C,E,G43CA0.7
NPOP-NITROPHENOLA1LS60.7
NPOP-NITROPHENOLX2ZVP0.7
NPOP-NITROPHENOLA,B2I100.7
NPOP-NITROPHENOLA1VAH0.7
NPOP-NITROPHENOLA,B3ETT0.7
NPOP-NITROPHENOLA,B2D200.7
NPOP-NITROPHENOLX2ZYV0.7
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.74
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.8
TY23-AMINO-L-TYROSINEA,B2VH30.74
2AF2-AMINOPHENOLA1L4N0.77
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.71
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.71
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.71
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.71
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.7
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.7
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.72
EDREDROPHONIUM IONA1AX90.83
EDREDROPHONIUM IONA2ACK0.83
AZY3-AZIDO-L-TYROSINEA2YXN0.73
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.71
DNF2,4-DINITROPHENOLA,B2B160.72
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.72
DNF2,4-DINITROPHENOLA1GVO0.72
DNF2,4-DINITROPHENOLA,B2B150.72
DNF2,4-DINITROPHENOLA,B2B140.72
2AC2-AMINO-P-CRESOLH,I1A2C0.72
2AC2-AMINO-P-CRESOLA1L4M0.72
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71