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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02443789

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TY23-AMINO-L-TYROSINEA,B2VH30.78
4NL4-AMINOPHENOLA2ORL0.74
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.72
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
HABA,B1SRE0.74
ANX2,5-DINITROPHENOLA,B,C,D,E,F,
G,H
2BFG0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.79
2AC2-AMINO-P-CRESOLH,I1A2C0.88
2AC2-AMINO-P-CRESOLA1L4M0.88
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.7
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
NCR2-NITRO-P-CRESOLA,B1AHV0.82
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
MTBA,B1SRF0.74
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
MHBA,B1SRG0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
DMBA,B1SRI0.79
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
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
SOAISATOIC ANHYDRIDEA1BIO0.73
2AF2-AMINOPHENOLA1L4N0.78
TNFPICRIC ACIDA1GVS0.7
TNFPICRIC ACIDX1VYP0.7
TNFPICRIC ACIDA1VYR0.7
TNFPICRIC ACIDX1VYS0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
AZY3-AZIDO-L-TYROSINEA2YXN0.78
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.79
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.79
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.79
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.77
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72