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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03398110

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.73
2MP3,4-DIMETHYLPHENOLA1L5O0.77
3CAA,B2B770.7
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.78
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.8
ETY4-ethylphenolA,B,C,D2RA60.76
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
ESTESTRADIOLA,B1GWR0.7
ESTESTRADIOLA1FDS0.7
ESTESTRADIOLA,B,C1G500.7
ESTESTRADIOLA,B,C,D,E,F1ERE0.7
ESTESTRADIOLA,B1A520.7
ESTESTRADIOLA1FDT0.7
ESTESTRADIOLA2OCF0.7
ESTESTRADIOLA,B,C1QKU0.7
ESTESTRADIOLA,B,C,D,L1E6W0.7
ESTESTRADIOLA1IOL0.7
ESTESTRADIOLH1JNN0.7
ESTESTRADIOLB1QKT0.7
ESTESTRADIOLA1FDW0.7
ESTESTRADIOLA,B1AQU0.7
ESTESTRADIOLA1LHU0.7
ESTESTRADIOLA1A270.7
ESTESTRADIOLL1JGL0.7
ESTESTRADIOLA,B,E,F1PCG0.7
ESTESTRADIOLA,B,C,D1FDU0.7
ESTESTRADIOLA2J7X0.7
ESTESTRADIOLA,B2D060.7
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
ANFANTHRONEH2BJM0.72
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.79
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.78
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.84
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.7
2LP2-ALLYLPHENOLA1OV50.76
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.81
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.81
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
MBD3-METHYLCATECHOLA1KNF0.72
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.71
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.7
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.7
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.83
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,D1Y0G0.76
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.8
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.8
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.71
2CH2-CHLOROPHENOLA1WBO0.76
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.79
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.79
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.79
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.79
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.79
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.77
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.8
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.7
1NP1-NAPHTHOLX2ZVQ0.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.79
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.78
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.8
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.75
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.75
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.79
EYK2-tert-butylbenzene-1,4-diolB3EYK0.79
3CH3-CHLOROPHENOLA1LI30.73
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.87
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.87
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.72
PCRP-CRESOLA1JHV0.75
PCRP-CRESOLA1JHU0.75
PCRP-CRESOLA,B,C,D1DIQ0.75