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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02308566

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2AC2-AMINO-P-CRESOLH,I1A2C0.8
2AC2-AMINO-P-CRESOLA1L4M0.8
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.7
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.74
TY23-AMINO-L-TYROSINEA,B2VH30.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.76
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.76
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
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.7
AZY3-AZIDO-L-TYROSINEA2YXN0.71
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.74
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.71
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.78
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.74
STH2-AMINO-4H-1,3-BENZOXATHIIN-4-OLA,B,C,D1XKL0.71
NCR2-NITRO-P-CRESOLA,B1AHV0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.76
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.76
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.76
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.76
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.71
2AF2-AMINOPHENOLA1L4N0.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.7
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.71
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.71
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.7
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
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.7
KHP2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-
TETRAHYDRO-FURAN-3,4-DIOL
A,B1QW90.7
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.78
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.78
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.75
MHBA,B1SRG0.7
4NL4-AMINOPHENOLA2ORL0.76
SOAISATOIC ANHYDRIDEA1BIO0.78