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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01244250

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
F165-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-
ONE 1,1-DIOXIDE
A2CM80.72
OBPA,B2DE30.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.78
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.7
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.7
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.7
HC4A1TS60.72
HC4A3PHY0.72
HC4A3PYP0.72
HC4A1T1C0.72
HC4A1OT60.72
HC4A1TS00.72
HC4A1T1A0.72
HC4A2PYP0.72
HC4A2ZOI0.72
HC4A1OTI0.72
HC4A1XFQ0.72
HC4A2D010.72
HC4A,B,C,D,E,F,
G,H
2O7B0.72
HC4A2ZOH0.72
HC4A1GSW0.72
HC4A2QJ70.72
HC4A1F9I0.72
HC4X1UWP0.72
HC4A2PHY0.72
HC4A1T1B0.72
HC4A1F980.72
HC4A1T190.72
HC4X1UWN0.72
HC4A,B,C,D,E,F,
G,H
2O7F0.72
HC4A1UGU0.72
HC4A1TS80.72
HC4A,B1OTD0.72
HC4A1OTE0.72
HC4A1GSX0.72
HC4A1TS70.72
HC4A2PYR0.72
HC4A1S4S0.72
HC4A1GSV0.72
HC4A2I9V0.72
HC4A2QWS0.72
HC4A1XFN0.72
HC4A1S4R0.72
HC4A1T180.72
HC4A1OTA0.72
HC4A1D7E0.72
HC4A1S1Z0.72
HC4A,B,C1MZU0.72
HC4A,B1ODV0.72
HC4A,B2J3J0.72
HC4A2QJ50.72
HC4A1OTB0.72
HC4A2D020.72
HC4A1OT90.72
HC4A1NWZ0.72
HC4A1S1Y0.72
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.74
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.72
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.78
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.7
DHCCAFFEIC ACIDA1KOU0.7
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
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.78
EPTHEPTANYL-P-PHENOLA,B1AHZ0.77
2LP2-ALLYLPHENOLA1OV50.76
PSYphenyl ethenesulfonateA3BM80.86
PSYphenyl ethenesulfonateA3BLT0.86
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
1NP1-NAPHTHOLX2ZVQ0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.77
EYK2-tert-butylbenzene-1,4-diolB3EYK0.77
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,D1Y0G0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.75
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.72
STLRESVERATROLA,B3CKL0.74
STLRESVERATROLA,B,C,D1U0W0.74
STLRESVERATROLA1CGZ0.74
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.74
STLRESVERATROLA1Z1F0.74
STLRESVERATROLA1DVS0.74
STLRESVERATROLA,B1SG00.74
MCT4-METHYLCATECHOLA1L4G0.77
MCT4-METHYLCATECHOLA2EHZ0.77
MCT4-METHYLCATECHOLA,B1DMH0.77
PCRP-CRESOLA1JHV0.77
PCRP-CRESOLA1JHU0.77
PCRP-CRESOLA,B,C,D1DIQ0.77
ETY4-ethylphenolA,B,C,D2RA60.78
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.74
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
CRSM-CRESOLA,B,C,D1EV30.8
CRSM-CRESOLA,B,C,D,E,F2OMG0.8
CRSM-CRESOLA,B1UZ90.8
CRSM-CRESOLA,B,C,D1ZEH0.8
CRSM-CRESOLA,B,C,D,E,F1ZEI0.8
CRSM-CRESOLA,C,D,E7INS0.8
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.8
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
MBD3-METHYLCATECHOLA1KNF0.76
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.7
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.7