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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006894

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1MRN-METHYLANILINEX2OTZ0.74
4NC4-NITROCATECHOLA1NO30.72
4NC4-NITROCATECHOLB2BUU0.72
4NC4-NITROCATECHOLB2BUZ0.72
4NC4-NITROCATECHOLB1EOC0.72
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.77
EDREDROPHONIUM IONA1AX90.84
EDREDROPHONIUM IONA2ACK0.84
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.71
4NP4-NITROPHENYL PHOSPHATEA,B1D1Q0.71
4NP4-NITROPHENYL PHOSPHATEA,B1VE70.71
4NP4-NITROPHENYL PHOSPHATEA2I6P0.71
2AF2-AMINOPHENOLA1L4N0.83
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.74
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.9
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.9
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.9
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.9
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.9
NYLN-ALLYL-ANILINEA1OVK0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.79
2AC2-AMINO-P-CRESOLA1L4M0.79
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A,B,D,F1KNO0.72
PNPMETHYL-PHOSPHONIC ACID MONO-(4-
NITRO-PHENYL) ESTER
A1ZED0.72
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
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.77
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.78
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.76
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
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.7
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.72
4NS4-nitrophenyl sulfateX2ZYU0.72
4NL4-AMINOPHENOLA2ORL0.88
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
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
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.78
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.73
SOAISATOIC ANHYDRIDEA1BIO0.7