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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02250855

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.72
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.72
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
LDPL-DOPAMINEA,B2A3R0.7
LDPL-DOPAMINEA5PAH0.7
LDPL-DOPAMINEA,B2QMZ0.7
LDPL-DOPAMINEA,B2VQ50.7
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
MTBA,B1SRF0.72
2AC2-AMINO-P-CRESOLH,I1A2C0.82
2AC2-AMINO-P-CRESOLA1L4M0.82
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.73
DMBA,B1SRI0.74
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.71
HABA,B1SRE0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.72
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.72
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.72
TY23-AMINO-L-TYROSINEA,B2VH30.74
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.7
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.7
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.74
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.75
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.77
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.74
NABA,B1SRJ0.71
SOAISATOIC ANHYDRIDEA1BIO0.77
MHBA,B1SRG0.72
AZY3-AZIDO-L-TYROSINEA2YXN0.72
NPOP-NITROPHENOLA,B1Z440.71
NPOP-NITROPHENOLX2ZYW0.71
NPOP-NITROPHENOLH,L1YEK0.71
NPOP-NITROPHENOLA,C,E,G43CA0.71
NPOP-NITROPHENOLA1LS60.71
NPOP-NITROPHENOLX2ZVP0.71
NPOP-NITROPHENOLA,B2I100.71
NPOP-NITROPHENOLA1VAH0.71
NPOP-NITROPHENOLA,B3ETT0.71
NPOP-NITROPHENOLA,B2D200.71
NPOP-NITROPHENOLX2ZYV0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.73
4NL4-AMINOPHENOLA2ORL0.79
AEF4-(2-aminoethyl)phenolA3BRA0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
2AF2-AMINOPHENOLA1L4N0.75
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.76
NCR2-NITRO-P-CRESOLA,B1AHV0.73