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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02252828

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.87
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.75
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.77
DESDIETHYLSTILBESTROLA,B3ERD0.77
DESDIETHYLSTILBESTROLA,B1TT60.77
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.77
CRSM-CRESOLA,B,C,D1EV30.73
CRSM-CRESOLA,B,C,D,E,F2OMG0.73
CRSM-CRESOLA,B1UZ90.73
CRSM-CRESOLA,B,C,D1ZEH0.73
CRSM-CRESOLA,B,C,D,E,F1ZEI0.73
CRSM-CRESOLA,C,D,E7INS0.73
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.73
3CAA,B2B770.72
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,41EAH0.72
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,43EPF0.72
PCIPENTACHLOROPHENOLA,B2GWH0.7
PCIPENTACHLOROPHENOLA,B,C1Y5N0.7
PCIPENTACHLOROPHENOLA,B,C1Y4Z0.7
PCIPENTACHLOROPHENOLA,B,C,E,F,G2VPY0.7
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.77
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.77
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.73
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.91
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.91
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.76
BPYBIPHENYL-2,3-DIOLA1KMY0.75
BPYBIPHENYL-2,3-DIOLB1KW80.75
BPYBIPHENYL-2,3-DIOLA2EI30.75
BPYBIPHENYL-2,3-DIOLA1EIR0.75
BPYBIPHENYL-2,3-DIOLB1KW60.75
BPYBIPHENYL-2,3-DIOLB1KWC0.75
BPYBIPHENYL-2,3-DIOLB1KW90.75
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
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.84
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
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,D1Y0G0.74
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
ANFANTHRONEH2BJM0.71
1NP1-NAPHTHOLX2ZVQ0.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.82
STLRESVERATROLA,B3CKL0.73
STLRESVERATROLA,B,C,D1U0W0.73
STLRESVERATROLA1CGZ0.73
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.73
STLRESVERATROLA1Z1F0.73
STLRESVERATROLA1DVS0.73
STLRESVERATROLA,B1SG00.73
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
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.88
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.71
2CH2-CHLOROPHENOLA1WBO0.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
OBPA,B2DE30.71
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.74
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.74
TCLTRICLOSANA,B,C,D2PD30.73
TCLTRICLOSANA,B1P450.73
TCLTRICLOSANA,B,C,D,E,F2B350.73
TCLTRICLOSANA,B1D8A0.73
TCLTRICLOSANA,B1C140.73
TCLTRICLOSANA,B,C,D2QIO0.73
TCLTRICLOSANA,B1NHG0.73
TCLTRICLOSANA1D7O0.73
TCLTRICLOSANA,B,C,D2O2Y0.73
TCLTRICLOSANA,B1UH50.73
TCLTRICLOSANA,B2O2S0.73
TCLTRICLOSANA,B,C,D1QG60.73
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.73
43M4-CHLORO-3-METHYLPHENOLA2P7A0.81
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.74
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.74
PCRP-CRESOLA1JHV0.74
PCRP-CRESOLA1JHU0.74
PCRP-CRESOLA,B,C,D1DIQ0.74
TC72,4,5-trichlorophenolA2VCE0.75
ETY4-ethylphenolA,B,C,D2RA60.74
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.79
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.8
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.8
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
2LP2-ALLYLPHENOLA1OV50.77
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.77
3CH3-CHLOROPHENOLA1LI30.75
DCNDICLOSANA,B,C,D2PD40.71