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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03029769

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RSOR-STYRENE OXIDEA,B1PWZ0.74
SMN(S)-MANDELIC ACIDA1MDL0.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.79
12M(2-ETHYLPHENYL)METHANOLA,B2F620.82
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
3BZ3-chlorobenzoateX2QVZ0.72
3BZ3-chlorobenzoateX2QVX0.72
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.77
2MP3,4-DIMETHYLPHENOLA1L5O0.7
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
3CH3-CHLOROPHENOLA1LI30.71
341(3,5-difluorophenyl)methanolC3EON0.75
SS11-PHENYLETHANOLH1UM50.86
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.76
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.79
43M4-CHLORO-3-METHYLPHENOLA2P7A0.77
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.77
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.71
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.73
1744-CHLORO-BENZOIC ACIDX3DLP0.73
1744-CHLORO-BENZOIC ACIDX1T5D0.73
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.71
CRSM-CRESOLA,B,C,D1EV30.7
CRSM-CRESOLA,B,C,D,E,F2OMG0.7
CRSM-CRESOLA,B1UZ90.7
CRSM-CRESOLA,B,C,D1ZEH0.7
CRSM-CRESOLA,B,C,D,E,F1ZEI0.7
CRSM-CRESOLA,C,D,E7INS0.7
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.7
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,D1Y0G0.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.89
2LP2-ALLYLPHENOLA1OV50.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.75
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.77
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.86
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.86
SS2(1R)-1-PHENYLETHANOLA1ZJY0.86
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.75
RMN(R)-MANDELIC ACIDA1MDL0.72
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.72
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
ETY4-ethylphenolA,B,C,D2RA60.73
PEL2-PHENYL-ETHANOLA,B1I0D0.77
PEL2-PHENYL-ETHANOLD,H2I0T0.77
PEL2-PHENYL-ETHANOLA,B1HZY0.77
PEL2-PHENYL-ETHANOLA,B1I0B0.77
PEL2-PHENYL-ETHANOLA1EYW0.77
PEL2-PHENYL-ETHANOLA,B1JGM0.77
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.76
34Z3,4-dichlorobenzoateX2QVY0.7
34Z3,4-dichlorobenzoateX2QW00.7