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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02438876

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.74
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.7
ETY4-ethylphenolA,B,C,D2RA60.71
OBPA,B2DE30.85
ESTESTRADIOLA,B1GWR0.7
ESTESTRADIOLA1FDS0.7
ESTESTRADIOLA,B,C1G500.7
ESTESTRADIOLA,B,C,D,E,F1ERE0.7
ESTESTRADIOLA,B1A520.7
ESTESTRADIOLA1FDT0.7
ESTESTRADIOLA2OCF0.7
ESTESTRADIOLA,B,C1QKU0.7
ESTESTRADIOLA,B,C,D,L1E6W0.7
ESTESTRADIOLA1IOL0.7
ESTESTRADIOLH1JNN0.7
ESTESTRADIOLB1QKT0.7
ESTESTRADIOLA1FDW0.7
ESTESTRADIOLA,B1AQU0.7
ESTESTRADIOLA1LHU0.7
ESTESTRADIOLA1A270.7
ESTESTRADIOLL1JGL0.7
ESTESTRADIOLA,B,E,F1PCG0.7
ESTESTRADIOLA,B,C,D1FDU0.7
ESTESTRADIOLA2J7X0.7
ESTESTRADIOLA,B2D060.7
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.79
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
2LP2-ALLYLPHENOLA1OV50.71
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
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.78
1NP1-NAPHTHOLX2ZVQ0.81
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
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.7
AZNALIZARIN REDH,I,J,K,L,M,
N,O
1OAR0.75
2MP3,4-DIMETHYLPHENOLA1L5O0.75
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
ANFANTHRONEH2BJM0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.81
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.71
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.71
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
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
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.86
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
ZTWRALOXIFENE COREA,B1GWQ0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.73