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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02322738

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.74
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.74
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.75
TC72,4,5-trichlorophenolA2VCE0.81
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
3CH3-CHLOROPHENOLA1LI30.79
ETY4-ethylphenolA,B,C,D2RA60.76
43M4-CHLORO-3-METHYLPHENOLA2P7A0.93
MBD3-METHYLCATECHOLA1KNF0.74
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
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,D1Y0G0.72
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.71
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.77
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
PCIPENTACHLOROPHENOLA,B2GWH0.72
PCIPENTACHLOROPHENOLA,B,C1Y5N0.72
PCIPENTACHLOROPHENOLA,B,C1Y4Z0.72
PCIPENTACHLOROPHENOLA,B,C,E,F,G2VPY0.72
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.83
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.72
PCRP-CRESOLA1JHV0.77
PCRP-CRESOLA1JHU0.77
PCRP-CRESOLA,B,C,D1DIQ0.77
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.83
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.83
IPHPHENOLA,B2OLD0.71
IPHPHENOLA,B,C,D2PZV0.71
IPHPHENOLA1LI20.71
IPHPHENOLA2J9N0.71
IPHPHENOLA,B,C,D2OMB0.71
IPHPHENOLA1JHX0.71
IPHPHENOLA,B,C,D2VE70.71
IPHPHENOLB,D,E,G,H,J,L1AI00.71
IPHPHENOLA,B,C,D1FOH0.71
IPHPHENOLA1V030.71
IPHPHENOLA,C,E,G,I,K5AIY0.71
IPHPHENOLB,D,F,H,J,L1AIY0.71
IPHPHENOLA,B1XU50.71
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.71
IPHPHENOLA,C,E,G,I,K4AIY0.71
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.71
IPHPHENOLA2AS30.71
IPHPHENOLA,B,C,D1ZEG0.71
IPHPHENOLA,B,C,D1PN00.71
IPHPHENOLA,B,C,D1XW70.71
IPHPHENOLA,C,E,G,I,K,M1QIY0.71
IPHPHENOLA,B,C,D1Q4V0.71
IPHPHENOLB1AI70.71
IPHPHENOLA1FJW0.71
IPHPHENOLB,C,D1RWE0.71
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.71
IPHPHENOLB,C,D3GKY0.71
IPHPHENOLA1JHY0.71
IPHPHENOLA,C,E,G,I,K3AIY0.71
IPHPHENOLA,B2OMN0.71
IPHPHENOLA,C,E,G,I,K2AIY0.71
IPHPHENOLA,B,D1MPJ0.71
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.71
IPHPHENOLB,C,D1LPH0.71
CRSM-CRESOLA,B,C,D1EV30.8
CRSM-CRESOLA,B,C,D,E,F2OMG0.8
CRSM-CRESOLA,B1UZ90.8
CRSM-CRESOLA,B,C,D1ZEH0.8
CRSM-CRESOLA,B,C,D,E,F1ZEI0.8
CRSM-CRESOLA,C,D,E7INS0.8
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.8
2LP2-ALLYLPHENOLA1OV50.74
2MP3,4-DIMETHYLPHENOLA1L5O0.76
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.79
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.71
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.71
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.82
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.7
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.72
STLRESVERATROLA,B3CKL0.7
STLRESVERATROLA,B,C,D1U0W0.7
STLRESVERATROLA1CGZ0.7
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.7
STLRESVERATROLA1Z1F0.7
STLRESVERATROLA1DVS0.7
STLRESVERATROLA,B1SG00.7
2CH2-CHLOROPHENOLA1WBO0.83
MCT4-METHYLCATECHOLA1L4G0.75
MCT4-METHYLCATECHOLA2EHZ0.75
MCT4-METHYLCATECHOLA,B1DMH0.75