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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00078751

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.74
DMBA,B1SRI0.72
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.72
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.74
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.74
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.74
AZY3-AZIDO-L-TYROSINEA2YXN0.8
NIYMETA-NITRO-TYROSINEA2ADP0.75
NIYMETA-NITRO-TYROSINEA3DIV0.75
NIYMETA-NITRO-TYROSINEA2H5U0.75
NIYMETA-NITRO-TYROSINEA1K4Q0.75
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.8
NCR2-NITRO-P-CRESOLA,B1AHV0.83
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
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
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
2AC2-AMINO-P-CRESOLH,I1A2C0.94
2AC2-AMINO-P-CRESOLA1L4M0.94
MHBA,B1SRG0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
TY23-AMINO-L-TYROSINEA,B2VH30.81
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.73
AEF4-(2-aminoethyl)phenolA3BRA0.75
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
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.76
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.76
TNFPICRIC ACIDA1GVS0.7
TNFPICRIC ACIDX1VYP0.7
TNFPICRIC ACIDA1VYR0.7
TNFPICRIC ACIDX1VYS0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.72
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.71
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.79
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.72
2AF2-AMINOPHENOLA1L4N0.84
4NL4-AMINOPHENOLA2ORL0.79
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.7
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
DNF2,4-DINITROPHENOLA,B2B160.7
DNF2,4-DINITROPHENOLH,J,L,N1OAU0.7
DNF2,4-DINITROPHENOLA1GVO0.7
DNF2,4-DINITROPHENOLA,B2B150.7
DNF2,4-DINITROPHENOLA,B2B140.7
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
SOAISATOIC ANHYDRIDEA1BIO0.78