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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02248237

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LJ33,5-dibromobiphenyl-4-olA,B3CN20.82
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.72
DHCCAFFEIC ACIDA1KOU0.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
1NP1-NAPHTHOLX2ZVQ0.83
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
ETY4-ethylphenolA,B,C,D2RA60.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
MCT4-METHYLCATECHOLA1L4G0.76
MCT4-METHYLCATECHOLA2EHZ0.76
MCT4-METHYLCATECHOLA,B1DMH0.76
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.7
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.72
ANFANTHRONEH2BJM0.77
2BR2-BROMOPHENOLA,B,C,D2A9W0.71
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.7
ESLESTRIOLA1X8V0.71
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.75
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.75
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.75
BML4-BROMOPHENOLA,B,E3DHH0.71
BML4-BROMOPHENOLA,B1XU30.71
BML4-BROMOPHENOLA,B1T0S0.71
MBD3-METHYLCATECHOLA1KNF0.77
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.7
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.75
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
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
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.73
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.76
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.73
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.8
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
D1NNAPHTHALENE-1,2-DIOLA2EI10.89
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.83
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.71
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.79
STLRESVERATROLA,B3CKL0.72
STLRESVERATROLA,B,C,D1U0W0.72
STLRESVERATROLA1CGZ0.72
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.72
STLRESVERATROLA1Z1F0.72
STLRESVERATROLA1DVS0.72
STLRESVERATROLA,B1SG00.72
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.81
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.76
2LP2-ALLYLPHENOLA1OV50.72
BPYBIPHENYL-2,3-DIOLA1KMY0.83
BPYBIPHENYL-2,3-DIOLB1KW80.83
BPYBIPHENYL-2,3-DIOLA2EI30.83
BPYBIPHENYL-2,3-DIOLA1EIR0.83
BPYBIPHENYL-2,3-DIOLB1KW60.83
BPYBIPHENYL-2,3-DIOLB1KWC0.83
BPYBIPHENYL-2,3-DIOLB1KW90.83
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.83