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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03538583

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
ANFANTHRONEH2BJM0.78
2LP2-ALLYLPHENOLA1OV50.8
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.75
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.78
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.88
3CAA,B2B770.78
1NP1-NAPHTHOLX2ZVQ0.82
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
MBD3-METHYLCATECHOLA1KNF0.75
TC72,4,5-trichlorophenolA2VCE0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.7
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.89
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.89
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.83
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.77
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.82
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.82
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
OBPA,B2DE30.74
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.91
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.7
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.73
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.82
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.93
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.72
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.7
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
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
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.82
2CH2-CHLOROPHENOLA1WBO0.76
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.72
ETY4-ethylphenolA,B,C,D2RA60.78
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.82
HC4A1TS60.71
HC4A3PHY0.71
HC4A3PYP0.71
HC4A1T1C0.71
HC4A1OT60.71
HC4A1TS00.71
HC4A1T1A0.71
HC4A2PYP0.71
HC4A2ZOI0.71
HC4A1OTI0.71
HC4A1XFQ0.71
HC4A2D010.71
HC4A,B,C,D,E,F,
G,H
2O7B0.71
HC4A2ZOH0.71
HC4A1GSW0.71
HC4A2QJ70.71
HC4A1F9I0.71
HC4X1UWP0.71
HC4A2PHY0.71
HC4A1T1B0.71
HC4A1F980.71
HC4A1T190.71
HC4X1UWN0.71
HC4A,B,C,D,E,F,
G,H
2O7F0.71
HC4A1UGU0.71
HC4A1TS80.71
HC4A,B1OTD0.71
HC4A1OTE0.71
HC4A1GSX0.71
HC4A1TS70.71
HC4A2PYR0.71
HC4A1S4S0.71
HC4A1GSV0.71
HC4A2I9V0.71
HC4A2QWS0.71
HC4A1XFN0.71
HC4A1S4R0.71
HC4A1T180.71
HC4A1OTA0.71
HC4A1D7E0.71
HC4A1S1Z0.71
HC4A,B,C1MZU0.71
HC4A,B1ODV0.71
HC4A,B2J3J0.71
HC4A2QJ50.71
HC4A1OTB0.71
HC4A2D020.71
HC4A1OT90.71
HC4A1NWZ0.71
HC4A1S1Y0.71
ESTESTRADIOLA,B1GWR0.71
ESTESTRADIOLA1FDS0.71
ESTESTRADIOLA,B,C1G500.71
ESTESTRADIOLA,B,C,D,E,F1ERE0.71
ESTESTRADIOLA,B1A520.71
ESTESTRADIOLA1FDT0.71
ESTESTRADIOLA2OCF0.71
ESTESTRADIOLA,B,C1QKU0.71
ESTESTRADIOLA,B,C,D,L1E6W0.71
ESTESTRADIOLA1IOL0.71
ESTESTRADIOLH1JNN0.71
ESTESTRADIOLB1QKT0.71
ESTESTRADIOLA1FDW0.71
ESTESTRADIOLA,B1AQU0.71
ESTESTRADIOLA1LHU0.71
ESTESTRADIOLA1A270.71
ESTESTRADIOLL1JGL0.71
ESTESTRADIOLA,B,E,F1PCG0.71
ESTESTRADIOLA,B,C,D1FDU0.71
ESTESTRADIOLA2J7X0.71
ESTESTRADIOLA,B2D060.71
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.72
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.83
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.87
LJ33,5-dibromobiphenyl-4-olA,B3CN20.75
3CH3-CHLOROPHENOLA1LI30.78
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.76
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.76
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.79
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.78
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.76
43M4-CHLORO-3-METHYLPHENOLA2P7A0.87
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.8
DESDIETHYLSTILBESTROLA,B3ERD0.8
DESDIETHYLSTILBESTROLA,B1TT60.8
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.8
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.7
STLRESVERATROLA,B3CKL0.77
STLRESVERATROLA,B,C,D1U0W0.77
STLRESVERATROLA1CGZ0.77
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.77
STLRESVERATROLA1Z1F0.77
STLRESVERATROLA1DVS0.77
STLRESVERATROLA,B1SG00.77
MCT4-METHYLCATECHOLA1L4G0.74
MCT4-METHYLCATECHOLA2EHZ0.74
MCT4-METHYLCATECHOLA,B1DMH0.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.79
D1NNAPHTHALENE-1,2-DIOLA2EI10.77
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.78
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.81
CRSM-CRESOLA,B,C,D1EV30.79
CRSM-CRESOLA,B,C,D,E,F2OMG0.79
CRSM-CRESOLA,B1UZ90.79
CRSM-CRESOLA,B,C,D1ZEH0.79
CRSM-CRESOLA,B,C,D,E,F1ZEI0.79
CRSM-CRESOLA,C,D,E7INS0.79
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.79
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.72
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.8
AEF4-(2-aminoethyl)phenolA3BRA0.7
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.79
EYK2-tert-butylbenzene-1,4-diolB3EYK0.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.73
BPYBIPHENYL-2,3-DIOLA1KMY0.82
BPYBIPHENYL-2,3-DIOLB1KW80.82
BPYBIPHENYL-2,3-DIOLA2EI30.82
BPYBIPHENYL-2,3-DIOLA1EIR0.82
BPYBIPHENYL-2,3-DIOLB1KW60.82
BPYBIPHENYL-2,3-DIOLB1KWC0.82
BPYBIPHENYL-2,3-DIOLB1KW90.82
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.75
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.75
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.75
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.8