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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03147491

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
2MP3,4-DIMETHYLPHENOLA1L5O0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
TC72,4,5-trichlorophenolA2VCE0.76
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.92
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.92
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.73
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.97
3CH3-CHLOROPHENOLA1LI30.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
43M4-CHLORO-3-METHYLPHENOLA2P7A0.78
2CH2-CHLOROPHENOLA1WBO0.75
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
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
3CAA,B2B770.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.98
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
ETY4-ethylphenolA,B,C,D2RA60.72
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.7
1NP1-NAPHTHOLX2ZVQ0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.81
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.73
JPL5-(cyclohexa-1,5-dien-1-ylmethyl)-
2-(2,4-dichlorophenoxy)phenol
A3FNG0.72
2LP2-ALLYLPHENOLA1OV50.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.73
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.73
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.83
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.81