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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02273511

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.75
EYK2-tert-butylbenzene-1,4-diolB3EYK0.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.8
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
TBP2,4,6-TRIBROMOPHENOLL1E5A0.8
CRSM-CRESOLA,B,C,D1EV30.73
CRSM-CRESOLA,B,C,D,E,F2OMG0.73
CRSM-CRESOLA,B1UZ90.73
CRSM-CRESOLA,B,C,D1ZEH0.73
CRSM-CRESOLA,B,C,D,E,F1ZEI0.73
CRSM-CRESOLA,C,D,E7INS0.73
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.73
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
2MP3,4-DIMETHYLPHENOLA1L5O0.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.73
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,D1Y0G0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.76
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
MBD3-METHYLCATECHOLA1KNF0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.78
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
1NP1-NAPHTHOLX2ZVQ0.76
2LP2-ALLYLPHENOLA1OV50.79
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
OBPA,B2DE30.72
ANFANTHRONEH2BJM0.74
LJ33,5-dibromobiphenyl-4-olA,B3CN20.93
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.7
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.73
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.71
BPYBIPHENYL-2,3-DIOLA1KMY0.76
BPYBIPHENYL-2,3-DIOLB1KW80.76
BPYBIPHENYL-2,3-DIOLA2EI30.76
BPYBIPHENYL-2,3-DIOLA1EIR0.76
BPYBIPHENYL-2,3-DIOLB1KW60.76
BPYBIPHENYL-2,3-DIOLB1KWC0.76
BPYBIPHENYL-2,3-DIOLB1KW90.76
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.74
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.77
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.79
PBRPENTABROMOPHENOLA,B1E4H0.7
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.9
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.71
ETY4-ethylphenolA,B,C,D2RA60.75
BML4-BROMOPHENOLA,B,E3DHH0.77
BML4-BROMOPHENOLA,B1XU30.77
BML4-BROMOPHENOLA,B1T0S0.77
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.79
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
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
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
2BR2-BROMOPHENOLA,B,C,D2A9W0.77
DBY3,5 DIBROMOTYROSINEC,D1EBA0.72