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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03212052

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.75
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
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
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.73
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.73
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.73
EYK2-tert-butylbenzene-1,4-diolB3EYK0.73
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.73
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.7
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.7
2AF2-AMINOPHENOLA1L4N0.76
NPOP-NITROPHENOLA,B1Z440.74
NPOP-NITROPHENOLX2ZYW0.74
NPOP-NITROPHENOLH,L1YEK0.74
NPOP-NITROPHENOLA,C,E,G43CA0.74
NPOP-NITROPHENOLA1LS60.74
NPOP-NITROPHENOLX2ZVP0.74
NPOP-NITROPHENOLA,B2I100.74
NPOP-NITROPHENOLA1VAH0.74
NPOP-NITROPHENOLA,B3ETT0.74
NPOP-NITROPHENOLA,B2D200.74
NPOP-NITROPHENOLX2ZYV0.74
2AC2-AMINO-P-CRESOLH,I1A2C0.83
2AC2-AMINO-P-CRESOLA1L4M0.83
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.71
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.81
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.81
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.7
TY23-AMINO-L-TYROSINEA,B2VH30.73
LDPL-DOPAMINEA,B2A3R0.75
LDPL-DOPAMINEA5PAH0.75
LDPL-DOPAMINEA,B2QMZ0.75
LDPL-DOPAMINEA,B2VQ50.75
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.72
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.75
2MP3,4-DIMETHYLPHENOLA1L5O0.73
DMBA,B1SRI0.73
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
HABA,B1SRE0.72
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.79
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
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.7
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
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.71
2LP2-ALLYLPHENOLA1OV50.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
MTBA,B1SRF0.71
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.71
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.75
SOAISATOIC ANHYDRIDEA1BIO0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.79
MHBA,B1SRG0.72
ETY4-ethylphenolA,B,C,D2RA60.73
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
AZY3-AZIDO-L-TYROSINEA2YXN0.72
NCR2-NITRO-P-CRESOLA,B1AHV0.74
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.75
MTYMETA-TYROSINEA2TOH0.71
MTYMETA-TYROSINEA,B1BIQ0.71
MTYMETA-TYROSINEA1Q7O0.71
AEF4-(2-aminoethyl)phenolA3BRA0.77
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.71
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
4NL4-AMINOPHENOLA2ORL0.81
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.75
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.74