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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02839180

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.79
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.82
4NL4-AMINOPHENOLA2ORL0.84
4NC4-NITROCATECHOLA1NO30.7
4NC4-NITROCATECHOLB2BUU0.7
4NC4-NITROCATECHOLB2BUZ0.7
4NC4-NITROCATECHOLB1EOC0.7
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.73
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.71
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.74
NPOP-NITROPHENOLA,B1Z440.77
NPOP-NITROPHENOLX2ZYW0.77
NPOP-NITROPHENOLH,L1YEK0.77
NPOP-NITROPHENOLA,C,E,G43CA0.77
NPOP-NITROPHENOLA1LS60.77
NPOP-NITROPHENOLX2ZVP0.77
NPOP-NITROPHENOLA,B2I100.77
NPOP-NITROPHENOLA1VAH0.77
NPOP-NITROPHENOLA,B3ETT0.77
NPOP-NITROPHENOLA,B2D200.77
NPOP-NITROPHENOLX2ZYV0.77
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.74
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.74
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.74
DNF2,4-DINITROPHENOLA,B2B160.71
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.71
DNF2,4-DINITROPHENOLA1GVO0.71
DNF2,4-DINITROPHENOLA,B2B150.71
DNF2,4-DINITROPHENOLA,B2B140.71
2AF2-AMINOPHENOLA1L4N0.8
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.75
2AC2-AMINO-P-CRESOLA1L4M0.75
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.71
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.73
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.7
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.7
4NS4-nitrophenyl sulfateX2ZYU0.7
EDREDROPHONIUM IONA1AX90.79
EDREDROPHONIUM IONA2ACK0.79
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.93
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.93
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.93
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.93
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.93