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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00288084

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
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.73
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.8
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.71
ESTESTRADIOLA,B1GWR0.72
ESTESTRADIOLA1FDS0.72
ESTESTRADIOLA,B,C1G500.72
ESTESTRADIOLA,B,C,D,E,F1ERE0.72
ESTESTRADIOLA,B1A520.72
ESTESTRADIOLA1FDT0.72
ESTESTRADIOLA2OCF0.72
ESTESTRADIOLA,B,C1QKU0.72
ESTESTRADIOLA,B,C,D,L1E6W0.72
ESTESTRADIOLA1IOL0.72
ESTESTRADIOLH1JNN0.72
ESTESTRADIOLB1QKT0.72
ESTESTRADIOLA1FDW0.72
ESTESTRADIOLA,B1AQU0.72
ESTESTRADIOLA1LHU0.72
ESTESTRADIOLA1A270.72
ESTESTRADIOLL1JGL0.72
ESTESTRADIOLA,B,E,F1PCG0.72
ESTESTRADIOLA,B,C,D1FDU0.72
ESTESTRADIOLA2J7X0.72
ESTESTRADIOLA,B2D060.72
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.78
2MP3,4-DIMETHYLPHENOLA1L5O0.78
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.77
CRSM-CRESOLA,B,C,D1EV30.75
CRSM-CRESOLA,B,C,D,E,F2OMG0.75
CRSM-CRESOLA,B1UZ90.75
CRSM-CRESOLA,B,C,D1ZEH0.75
CRSM-CRESOLA,B,C,D,E,F1ZEI0.75
CRSM-CRESOLA,C,D,E7INS0.75
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.75
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.82
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.76
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
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.81
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.81
ANFANTHRONEH2BJM0.73
BPYBIPHENYL-2,3-DIOLA1KMY0.75
BPYBIPHENYL-2,3-DIOLB1KW80.75
BPYBIPHENYL-2,3-DIOLA2EI30.75
BPYBIPHENYL-2,3-DIOLA1EIR0.75
BPYBIPHENYL-2,3-DIOLB1KW60.75
BPYBIPHENYL-2,3-DIOLB1KWC0.75
BPYBIPHENYL-2,3-DIOLB1KW90.75
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.7
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.7
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.79
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.83
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.71
2BR2-BROMOPHENOLA,B,C,D2A9W0.75
1NP1-NAPHTHOLX2ZVQ0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.76
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.76
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.7
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.7
2LP2-ALLYLPHENOLA1OV50.75
BML4-BROMOPHENOLA,B,E3DHH0.74
BML4-BROMOPHENOLA,B1XU30.74
BML4-BROMOPHENOLA,B1T0S0.74
ETY4-ethylphenolA,B,C,D2RA60.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.8
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.79
DESDIETHYLSTILBESTROLA,B3ERD0.79
DESDIETHYLSTILBESTROLA,B1TT60.79
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.79
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.9
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.7
TBP2,4,6-TRIBROMOPHENOLL1E5A0.77
ESLESTRIOLA1X8V0.7
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.7
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
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.71
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.72
MBD3-METHYLCATECHOLA1KNF0.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.76
LJ33,5-dibromobiphenyl-4-olA,B3CN20.95
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.76
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.79
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
DBY3,5 DIBROMOTYROSINEC,D1EBA0.72
PCRP-CRESOLA1JHV0.75
PCRP-CRESOLA1JHU0.75
PCRP-CRESOLA,B,C,D1DIQ0.75