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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02892837

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.9
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.9
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.87
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.87
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.86
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.85
43M4-CHLORO-3-METHYLPHENOLA2P7A0.83
2LP2-ALLYLPHENOLA1OV50.82
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.81
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.81
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.81
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.8
1NP1-NAPHTHOLX2ZVQ0.8
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.8
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.8
BPYBIPHENYL-2,3-DIOLA1KMY0.8
BPYBIPHENYL-2,3-DIOLB1KW80.8
BPYBIPHENYL-2,3-DIOLA2EI30.8
BPYBIPHENYL-2,3-DIOLA1EIR0.8
BPYBIPHENYL-2,3-DIOLB1KW60.8
BPYBIPHENYL-2,3-DIOLB1KWC0.8
BPYBIPHENYL-2,3-DIOLB1KW90.8
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.8
DESDIETHYLSTILBESTROLA,B3ERD0.8
DESDIETHYLSTILBESTROLA,B1TT60.8
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.8
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.8
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.79
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.79
EPTHEPTANYL-P-PHENOLA,B1AHZ0.79
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.79
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,D1Y0G0.78
ETY4-ethylphenolA,B,C,D2RA60.78
3CH3-CHLOROPHENOLA1LI30.78
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.77
2MP3,4-DIMETHYLPHENOLA1L5O0.77
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.77
3CAA,B2B770.77
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.77
EYK2-tert-butylbenzene-1,4-diolB3EYK0.77
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
ANFANTHRONEH2BJM0.76
2CH2-CHLOROPHENOLA1WBO0.76
OBPA,B2DE30.76
CRSM-CRESOLA,B,C,D1EV30.75
CRSM-CRESOLA,B,C,D,E,F2OMG0.75
CRSM-CRESOLA,B1UZ90.75
CRSM-CRESOLA,B,C,D1ZEH0.75
CRSM-CRESOLA,B,C,D,E,F1ZEI0.75
CRSM-CRESOLA,C,D,E7INS0.75
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.75
D1NNAPHTHALENE-1,2-DIOLA2EI10.75
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
STLRESVERATROLA,B3CKL0.74
STLRESVERATROLA,B,C,D1U0W0.74
STLRESVERATROLA1CGZ0.74
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.74
STLRESVERATROLA1Z1F0.74
STLRESVERATROLA1DVS0.74
STLRESVERATROLA,B1SG00.74
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.74
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
MBD3-METHYLCATECHOLA1KNF0.73
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.73
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
LJ33,5-dibromobiphenyl-4-olA,B3CN20.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.72
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
TC72,4,5-trichlorophenolA2VCE0.71
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.71
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.71
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.71
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.71
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
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.71
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
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.71
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.71
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.7
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.7
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.7
MCT4-METHYLCATECHOLA1L4G0.7
MCT4-METHYLCATECHOLA2EHZ0.7
MCT4-METHYLCATECHOLA,B1DMH0.7
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
AEF4-(2-aminoethyl)phenolA3BRA0.7