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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02792367

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.73
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.73
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.75
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.75
2MP3,4-DIMETHYLPHENOLA1L5O0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.75
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.75
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.75
B08A,B2E990.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
OBPA,B2DE30.73
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.79
ETY4-ethylphenolA,B,C,D2RA60.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.75
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.75
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.73
SMN(S)-MANDELIC ACIDA1MDL0.7
4FCA1YSG0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
RSOR-STYRENE OXIDEA,B1PWZ0.72
341(3,5-difluorophenyl)methanolC3EON0.77
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.78
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.7
PEL2-PHENYL-ETHANOLA,B1I0D0.79
PEL2-PHENYL-ETHANOLD,H2I0T0.79
PEL2-PHENYL-ETHANOLA,B1HZY0.79
PEL2-PHENYL-ETHANOLA,B1I0B0.79
PEL2-PHENYL-ETHANOLA1EYW0.79
PEL2-PHENYL-ETHANOLA,B1JGM0.79
ANFANTHRONEH2BJM0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.82
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.82
SS2(1R)-1-PHENYLETHANOLA1ZJY0.82
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.79
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.75
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.73
BPYBIPHENYL-2,3-DIOLA1KMY0.74
BPYBIPHENYL-2,3-DIOLB1KW80.74
BPYBIPHENYL-2,3-DIOLA2EI30.74
BPYBIPHENYL-2,3-DIOLA1EIR0.74
BPYBIPHENYL-2,3-DIOLB1KW60.74
BPYBIPHENYL-2,3-DIOLB1KWC0.74
BPYBIPHENYL-2,3-DIOLB1KW90.74
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.73
DFADIPHENYLACETIC ACIDA,B,C1GMY0.71
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.75
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
2NAnaphthalen-2-ylmethanolA,B,C3EE50.87
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
2LP2-ALLYLPHENOLA1OV50.73
1NP1-NAPHTHOLX2ZVQ0.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.77
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.7
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.7
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.84
FBCA,B2B9A0.7
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.73
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.77
SS11-PHENYLETHANOLH1UM50.82
26CA,B2F7I0.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.78
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.71
B28A,B2E9A0.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.77
OBZO-benzylhydroxylamineA,B3DTH0.74
OBZO-benzylhydroxylamineA,B3DTG0.74
RMN(R)-MANDELIC ACIDA1MDL0.7
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.7
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.79
LJ33,5-dibromobiphenyl-4-olA,B3CN20.7