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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02215282

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.78
TC72,4,5-trichlorophenolA2VCE0.81
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.73
PCIPENTACHLOROPHENOLA,B2GWH0.73
PCIPENTACHLOROPHENOLA,B,C1Y5N0.73
PCIPENTACHLOROPHENOLA,B,C1Y4Z0.73
PCIPENTACHLOROPHENOLA,B,C,E,F,G2VPY0.73
3CH3-CHLOROPHENOLA1LI30.79
ETY4-ethylphenolA,B,C,D2RA60.76
MBD3-METHYLCATECHOLA1KNF0.74
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.77
IPHPHENOLA,B2OLD0.7
IPHPHENOLA,B,C,D2PZV0.7
IPHPHENOLA1LI20.7
IPHPHENOLA2J9N0.7
IPHPHENOLA,B,C,D2OMB0.7
IPHPHENOLA1JHX0.7
IPHPHENOLA,B,C,D2VE70.7
IPHPHENOLB,D,E,G,H,J,L1AI00.7
IPHPHENOLA,B,C,D1FOH0.7
IPHPHENOLA1V030.7
IPHPHENOLA,C,E,G,I,K5AIY0.7
IPHPHENOLB,D,F,H,J,L1AIY0.7
IPHPHENOLA,B1XU50.7
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.7
IPHPHENOLA,C,E,G,I,K4AIY0.7
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.7
IPHPHENOLA2AS30.7
IPHPHENOLA,B,C,D1ZEG0.7
IPHPHENOLA,B,C,D1PN00.7
IPHPHENOLA,B,C,D1XW70.7
IPHPHENOLA,C,E,G,I,K,M1QIY0.7
IPHPHENOLA,B,C,D1Q4V0.7
IPHPHENOLB1AI70.7
IPHPHENOLA1FJW0.7
IPHPHENOLB,C,D1RWE0.7
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.7
IPHPHENOLB,C,D3GKY0.7
IPHPHENOLA1JHY0.7
IPHPHENOLA,C,E,G,I,K3AIY0.7
IPHPHENOLA,B2OMN0.7
IPHPHENOLA,C,E,G,I,K2AIY0.7
IPHPHENOLA,B,D1MPJ0.7
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.7
IPHPHENOLB,C,D1LPH0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.75
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,D1Y0G0.75
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.71
2MP3,4-DIMETHYLPHENOLA1L5O0.73
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.82
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.86
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.86
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.75
PCRP-CRESOLA1JHV0.77
PCRP-CRESOLA1JHU0.77
PCRP-CRESOLA,B,C,D1DIQ0.77
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.8
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.8
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
43M4-CHLORO-3-METHYLPHENOLA2P7A0.87
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.83
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.7
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.7
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.76
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
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
2LP2-ALLYLPHENOLA1OV50.77
2CH2-CHLOROPHENOLA1WBO0.83
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.75
CRSM-CRESOLA,B,C,D1EV30.76
CRSM-CRESOLA,B,C,D,E,F2OMG0.76
CRSM-CRESOLA,B1UZ90.76
CRSM-CRESOLA,B,C,D1ZEH0.76
CRSM-CRESOLA,B,C,D,E,F1ZEI0.76
CRSM-CRESOLA,C,D,E7INS0.76
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.76