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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004113

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.8
2AC2-AMINO-P-CRESOLA1L4M0.8
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.71
AB42,5-DICHLORO-N-[4-HYDROXY-3-(2-
HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE
A,B2BZ50.74
LDPL-DOPAMINEA,B2A3R0.7
LDPL-DOPAMINEA5PAH0.7
LDPL-DOPAMINEA,B2QMZ0.7
LDPL-DOPAMINEA,B2VQ50.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
HABA,B1SRE0.74
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.7
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.7
NCR2-NITRO-P-CRESOLA,B1AHV0.71
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.72
MTBA,B1SRF0.73
TY23-AMINO-L-TYROSINEA,B2VH30.73
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.75
ANFANTHRONEH2BJM0.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
DMBA,B1SRI0.73
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.74
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
MHBA,B1SRG0.74
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.73
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.72
NABA,B1SRJ0.79
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
SOAISATOIC ANHYDRIDEA1BIO0.75
D1NNAPHTHALENE-1,2-DIOLA2EI10.73
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.72
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.7
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.7
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.72
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.75
AZY3-AZIDO-L-TYROSINEA2YXN0.72
2AF2-AMINOPHENOLA1L4N0.74
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
4NL4-AMINOPHENOLA2ORL0.79
AEF4-(2-aminoethyl)phenolA3BRA0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
1NP1-NAPHTHOLX2ZVQ0.78
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72