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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02139052

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.8
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.8
ANFANTHRONEH2BJM0.7
RSOR-STYRENE OXIDEA,B1PWZ0.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.73
EYK2-tert-butylbenzene-1,4-diolB3EYK0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.74
12M(2-ETHYLPHENYL)METHANOLA,B2F620.8
CRSM-CRESOLA,B,C,D1EV30.72
CRSM-CRESOLA,B,C,D,E,F2OMG0.72
CRSM-CRESOLA,B1UZ90.72
CRSM-CRESOLA,B,C,D1ZEH0.72
CRSM-CRESOLA,B,C,D,E,F1ZEI0.72
CRSM-CRESOLA,C,D,E7INS0.72
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.73
2MP3,4-DIMETHYLPHENOLA1L5O0.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
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,D1Y0G0.73
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.8
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.8
SS2(1R)-1-PHENYLETHANOLA1ZJY0.8
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.77
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
BPYBIPHENYL-2,3-DIOLA1KMY0.71
BPYBIPHENYL-2,3-DIOLB1KW80.71
BPYBIPHENYL-2,3-DIOLA2EI30.71
BPYBIPHENYL-2,3-DIOLA1EIR0.71
BPYBIPHENYL-2,3-DIOLB1KW60.71
BPYBIPHENYL-2,3-DIOLB1KWC0.71
BPYBIPHENYL-2,3-DIOLB1KW90.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.8
2NAnaphthalen-2-ylmethanolA,B,C3EE50.76
FBCA,B2B9A0.7
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.75
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
OBZO-benzylhydroxylamineA,B3DTH0.72
OBZO-benzylhydroxylamineA,B3DTG0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.79
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.77
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.75
PEL2-PHENYL-ETHANOLA,B1I0D0.75
PEL2-PHENYL-ETHANOLD,H2I0T0.75
PEL2-PHENYL-ETHANOLA,B1HZY0.75
PEL2-PHENYL-ETHANOLA,B1I0B0.75
PEL2-PHENYL-ETHANOLA1EYW0.75
PEL2-PHENYL-ETHANOLA,B1JGM0.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.78
26CA,B2F7I0.7
ETY4-ethylphenolA,B,C,D2RA60.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.76
SS11-PHENYLETHANOLH1UM50.8
MNN(S)-MANDELIC ACID NITRILEA1YB60.75
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
341(3,5-difluorophenyl)methanolC3EON0.81
2LP2-ALLYLPHENOLA1OV50.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72
1NP1-NAPHTHOLX2ZVQ0.7
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.75
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.75
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.75