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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02890678

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1NP1-NAPHTHOLX2ZVQ0.82
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.72
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.7
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.72
BPYBIPHENYL-2,3-DIOLA1KMY0.73
BPYBIPHENYL-2,3-DIOLB1KW80.73
BPYBIPHENYL-2,3-DIOLA2EI30.73
BPYBIPHENYL-2,3-DIOLA1EIR0.73
BPYBIPHENYL-2,3-DIOLB1KW60.73
BPYBIPHENYL-2,3-DIOLB1KWC0.73
BPYBIPHENYL-2,3-DIOLB1KW90.73
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.71
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.7
EYK2-tert-butylbenzene-1,4-diolB3EYK0.7
D1NNAPHTHALENE-1,2-DIOLA2EI10.79
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.74
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.81
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
2BR2-BROMOPHENOLA,B,C,D2A9W0.73
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
ANFANTHRONEH2BJM0.79
ETY4-ethylphenolA,B,C,D2RA60.72
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.72
TBP2,4,6-TRIBROMOPHENOLL1E5A0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.76
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.72
PCRP-CRESOLA1JHV0.7
PCRP-CRESOLA1JHU0.7
PCRP-CRESOLA,B,C,D1DIQ0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
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
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.79
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.72
LJ33,5-dibromobiphenyl-4-olA,B3CN20.91
BML4-BROMOPHENOLA,B,E3DHH0.72
BML4-BROMOPHENOLA,B1XU30.72
BML4-BROMOPHENOLA,B1T0S0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
2LP2-ALLYLPHENOLA1OV50.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.88
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71