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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00059193

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.73
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.73
SS11-PHENYLETHANOLH1UM50.77
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
FLPFLURBIPROFENA,B,C,D3PGH0.72
FLPFLURBIPROFENA,B1CQE0.72
FLPFLURBIPROFENA,B1EQH0.72
FLPFLURBIPROFENA,B2AYL0.72
FLPFLURBIPROFENA1DVT0.72
FLPFLURBIPROFENA1R9O0.72
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.7
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.77
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
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,D1Y0G0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.76
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.76
BPYBIPHENYL-2,3-DIOLA1KMY0.75
BPYBIPHENYL-2,3-DIOLB1KW80.75
BPYBIPHENYL-2,3-DIOLA2EI30.75
BPYBIPHENYL-2,3-DIOLA1EIR0.75
BPYBIPHENYL-2,3-DIOLB1KW60.75
BPYBIPHENYL-2,3-DIOLB1KWC0.75
BPYBIPHENYL-2,3-DIOLB1KW90.75
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.77
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
26CA,B2F7I0.75
ANFANTHRONEH2BJM0.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.78
MNN(S)-MANDELIC ACID NITRILEA1YB60.72
BFLA,B1Q4G0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.77
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.77
SS2(1R)-1-PHENYLETHANOLA1ZJY0.77
ETY4-ethylphenolA,B,C,D2RA60.72
1NP1-NAPHTHOLX2ZVQ0.73
B08A,B2E990.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.76
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.73
2LP2-ALLYLPHENOLA1OV50.74
2MP3,4-DIMETHYLPHENOLA1L5O0.71
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.7
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.7
PCRP-CRESOLA1JHV0.7
PCRP-CRESOLA1JHU0.7
PCRP-CRESOLA,B,C,D1DIQ0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.74
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.74
OBPA,B2DE30.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.72
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.71
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.71
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.71
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.71
4FCA1YSG0.74
DFADIPHENYLACETIC ACIDA,B,C1GMY0.72
PEL2-PHENYL-ETHANOLA,B1I0D0.72
PEL2-PHENYL-ETHANOLD,H2I0T0.72
PEL2-PHENYL-ETHANOLA,B1HZY0.72
PEL2-PHENYL-ETHANOLA,B1I0B0.72
PEL2-PHENYL-ETHANOLA1EYW0.72
PEL2-PHENYL-ETHANOLA,B1JGM0.72
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.71
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.71
FBCA,B2B9A0.75
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.77
B28A,B2E9A0.71
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.77
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
STLRESVERATROLA,B3CKL0.7
STLRESVERATROLA,B,C,D1U0W0.7
STLRESVERATROLA1CGZ0.7
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.7
STLRESVERATROLA1Z1F0.7
STLRESVERATROLA1DVS0.7
STLRESVERATROLA,B1SG00.7
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.74
341(3,5-difluorophenyl)methanolC3EON0.76