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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02888886

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.82
EDREDROPHONIUM IONA1AX90.85
EDREDROPHONIUM IONA2ACK0.85
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.7
NPOP-NITROPHENOLA,B1Z440.75
NPOP-NITROPHENOLX2ZYW0.75
NPOP-NITROPHENOLH,L1YEK0.75
NPOP-NITROPHENOLA,C,E,G43CA0.75
NPOP-NITROPHENOLA1LS60.75
NPOP-NITROPHENOLX2ZVP0.75
NPOP-NITROPHENOLA,B2I100.75
NPOP-NITROPHENOLA1VAH0.75
NPOP-NITROPHENOLA,B3ETT0.75
NPOP-NITROPHENOLA,B2D200.75
NPOP-NITROPHENOLX2ZYV0.75
4NL4-AMINOPHENOLA2ORL0.77
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.75
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.75
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.75
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.75
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.71
HABA,B1SRE0.72
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.7
MHBA,B1SRG0.71
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
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.73
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.73
TY23-AMINO-L-TYROSINEA,B2VH30.71
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.74
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.7
4NC4-NITROCATECHOLA1NO30.71
4NC4-NITROCATECHOLB2BUU0.71
4NC4-NITROCATECHOLB2BUZ0.71
4NC4-NITROCATECHOLB1EOC0.71
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.72
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1GAF0.75
NPE5-(PARA-NITROPHENYL PHOSPHONATE)-
PENTANOIC ACID
H1AJ70.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.7
PNF6-{4-[HYDROXY-(4-NITRO-PHENOXY)-
PHOSPHORYL]-BUTYRYLAMINO}-HEXANOIC ACID
L1YEJ0.72
4NS4-nitrophenyl sulfateX2ZYU0.7
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.85
AZY3-AZIDO-L-TYROSINEA2YXN0.7
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.75
NCHP-NITROPHENYL-PHOSPHOCHOLINEL1DL70.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.84
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.84
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.84
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.84
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.84
2AF2-AMINOPHENOLA1L4N0.73