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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02269321

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.76
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.77
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.89
D1NNAPHTHALENE-1,2-DIOLA2EI10.83
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.78
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.8
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.77
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
LJ33,5-dibromobiphenyl-4-olA,B3CN20.9
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.78
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.85
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.8
ESLESTRIOLA1X8V0.71
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.77
ANFANTHRONEH2BJM0.73
LDPL-DOPAMINEA,B2A3R0.75
LDPL-DOPAMINEA5PAH0.75
LDPL-DOPAMINEA,B2QMZ0.75
LDPL-DOPAMINEA,B2VQ50.75
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
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
MCT4-METHYLCATECHOLA1L4G0.8
MCT4-METHYLCATECHOLA2EHZ0.8
MCT4-METHYLCATECHOLA,B1DMH0.8
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.79
STLRESVERATROLA,B3CKL0.76
STLRESVERATROLA,B,C,D1U0W0.76
STLRESVERATROLA1CGZ0.76
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.76
STLRESVERATROLA1Z1F0.76
STLRESVERATROLA1DVS0.76
STLRESVERATROLA,B1SG00.76
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.75
DHCCAFFEIC ACIDA1KOU0.75
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.72
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,D1Y0G0.71
BPYBIPHENYL-2,3-DIOLA1KMY0.87
BPYBIPHENYL-2,3-DIOLB1KW80.87
BPYBIPHENYL-2,3-DIOLA2EI30.87
BPYBIPHENYL-2,3-DIOLA1EIR0.87
BPYBIPHENYL-2,3-DIOLB1KW60.87
BPYBIPHENYL-2,3-DIOLB1KWC0.87
BPYBIPHENYL-2,3-DIOLB1KW90.87
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.73
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.73
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.7
2LP2-ALLYLPHENOLA1OV50.75
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.79
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.73
BML4-BROMOPHENOLA,B,E3DHH0.73
BML4-BROMOPHENOLA,B1XU30.73
BML4-BROMOPHENOLA,B1T0S0.73
2BR2-BROMOPHENOLA,B,C,D2A9W0.74
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.71
OBPA,B2DE30.71
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.75
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.79
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.76
EYK2-tert-butylbenzene-1,4-diolB3EYK0.76
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.76
1NP1-NAPHTHOLX2ZVQ0.77
ETY4-ethylphenolA,B,C,D2RA60.75
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
CAQCATECHOLB2BUY0.7
CAQCATECHOLA1KND0.7
CAQCATECHOLB2BUQ0.7
CAQCATECHOLA,B1DLT0.7
CAQCATECHOLA1XEP0.7
CAQCATECHOLA2PUM0.7
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
MBD3-METHYLCATECHOLA1KNF0.79
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.76