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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02741823

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DMBA,B1SRI0.72
HABA,B1SRE0.73
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.71
BPYBIPHENYL-2,3-DIOLA1KMY0.78
BPYBIPHENYL-2,3-DIOLB1KW80.78
BPYBIPHENYL-2,3-DIOLA2EI30.78
BPYBIPHENYL-2,3-DIOLA1EIR0.78
BPYBIPHENYL-2,3-DIOLB1KW60.78
BPYBIPHENYL-2,3-DIOLB1KWC0.78
BPYBIPHENYL-2,3-DIOLB1KW90.78
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.72
MTBA,B1SRF0.72
TY23-AMINO-L-TYROSINEA,B2VH30.72
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.72
142CARBIDOPAA,B1JS30.7
4NC4-NITROCATECHOLA1NO30.73
4NC4-NITROCATECHOLB2BUU0.73
4NC4-NITROCATECHOLB2BUZ0.73
4NC4-NITROCATECHOLB1EOC0.73
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.72
AB42,5-DICHLORO-N-[4-HYDROXY-3-(2-
HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE
A,B2BZ50.7
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.77
AEF4-(2-aminoethyl)phenolA3BRA0.71
MBD3-METHYLCATECHOLA1KNF0.72
AZY3-AZIDO-L-TYROSINEA2YXN0.71
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.72
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.72
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.72
ALEL-EPINEPHRINEA3PAH0.7
ALEL-EPINEPHRINEA2HKK0.7
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
TY33-HYDROXY-L-TYROSINEA,B2VH30.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.7
SOAISATOIC ANHYDRIDEA1BIO0.74
LNRL-NOREPINEPHRINEA,B2QEO0.74
LNRL-NOREPINEPHRINEA3DYE0.74
LNRL-NOREPINEPHRINEA4PAH0.74
D1NNAPHTHALENE-1,2-DIOLA2EI10.74
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.71
AA63-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-
PHENYL]-2-METHYLAMINO-PROPIONIC ACID
E,I1QR30.7
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.73
NCR2-NITRO-P-CRESOLA,B1AHV0.7
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.71
NABA,B1SRJ0.71
LDPL-DOPAMINEA,B2A3R0.79
LDPL-DOPAMINEA5PAH0.79
LDPL-DOPAMINEA,B2QMZ0.79
LDPL-DOPAMINEA,B2VQ50.79
MHBA,B1SRG0.72
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMP1E2S0.71
CSNN,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUMA1PA90.71
2AC2-AMINO-P-CRESOLH,I1A2C0.78
2AC2-AMINO-P-CRESOLA1L4M0.78
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
4NL4-AMINOPHENOLA2ORL0.76
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.74
2AF2-AMINOPHENOLA1L4N0.73