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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02299657

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FINA1ZVX0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.75
2MP3,4-DIMETHYLPHENOLA1L5O0.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
MBD3-METHYLCATECHOLA1KNF0.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
EINA1ZS00.71
LDPL-DOPAMINEA,B2A3R0.7
LDPL-DOPAMINEA5PAH0.7
LDPL-DOPAMINEA,B2QMZ0.7
LDPL-DOPAMINEA,B2VQ50.7
ETY4-ethylphenolA,B,C,D2RA60.76
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.72
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.72
BPYBIPHENYL-2,3-DIOLA1KMY0.77
BPYBIPHENYL-2,3-DIOLB1KW80.77
BPYBIPHENYL-2,3-DIOLA2EI30.77
BPYBIPHENYL-2,3-DIOLA1EIR0.77
BPYBIPHENYL-2,3-DIOLB1KW60.77
BPYBIPHENYL-2,3-DIOLB1KWC0.77
BPYBIPHENYL-2,3-DIOLB1KW90.77
2C72-(cycloheptylmethyl)-1,1-dioxido-
1-benzothiophen-6-yl sulfamate
A3DD80.71
PCRP-CRESOLA1JHV0.76
PCRP-CRESOLA1JHU0.76
PCRP-CRESOLA,B,C,D1DIQ0.76
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.74
EYK2-tert-butylbenzene-1,4-diolB3EYK0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
ANFANTHRONEH2BJM0.72
OBPA,B2DE30.84
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
2LP2-ALLYLPHENOLA1OV50.76
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,D1Y0G0.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.77
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.75
STLRESVERATROLA,B3CKL0.79
STLRESVERATROLA,B,C,D1U0W0.79
STLRESVERATROLA1CGZ0.79
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.79
STLRESVERATROLA1Z1F0.79
STLRESVERATROLA1DVS0.79
STLRESVERATROLA,B1SG00.79
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
HTS2-MERCAPTOPHENOLA2OSM0.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.7
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.77
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.75
HC4A1TS60.73
HC4A3PHY0.73
HC4A3PYP0.73
HC4A1T1C0.73
HC4A1OT60.73
HC4A1TS00.73
HC4A1T1A0.73
HC4A2PYP0.73
HC4A2ZOI0.73
HC4A1OTI0.73
HC4A1XFQ0.73
HC4A2D010.73
HC4A,B,C,D,E,F,
G,H
2O7B0.73
HC4A2ZOH0.73
HC4A1GSW0.73
HC4A2QJ70.73
HC4A1F9I0.73
HC4X1UWP0.73
HC4A2PHY0.73
HC4A1T1B0.73
HC4A1F980.73
HC4A1T190.73
HC4X1UWN0.73
HC4A,B,C,D,E,F,
G,H
2O7F0.73
HC4A1UGU0.73
HC4A1TS80.73
HC4A,B1OTD0.73
HC4A1OTE0.73
HC4A1GSX0.73
HC4A1TS70.73
HC4A2PYR0.73
HC4A1S4S0.73
HC4A1GSV0.73
HC4A2I9V0.73
HC4A2QWS0.73
HC4A1XFN0.73
HC4A1S4R0.73
HC4A1T180.73
HC4A1OTA0.73
HC4A1D7E0.73
HC4A1S1Z0.73
HC4A,B,C1MZU0.73
HC4A,B1ODV0.73
HC4A,B2J3J0.73
HC4A2QJ50.73
HC4A1OTB0.73
HC4A2D020.73
HC4A1OT90.73
HC4A1NWZ0.73
HC4A1S1Y0.73
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.89
F165-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-
ONE 1,1-DIOXIDE
A2CM80.79
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.73
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.76
1NP1-NAPHTHOLX2ZVQ0.77
AEF4-(2-aminoethyl)phenolA3BRA0.72
CRSM-CRESOLA,B,C,D1EV30.79
CRSM-CRESOLA,B,C,D,E,F2OMG0.79
CRSM-CRESOLA,B1UZ90.79
CRSM-CRESOLA,B,C,D1ZEH0.79
CRSM-CRESOLA,B,C,D,E,F1ZEI0.79
CRSM-CRESOLA,C,D,E7INS0.79
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.79
PSYphenyl ethenesulfonateA3BM80.71
PSYphenyl ethenesulfonateA3BLT0.71
ZTWRALOXIFENE COREA,B1GWQ0.71
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.77
MCT4-METHYLCATECHOLA1L4G0.75
MCT4-METHYLCATECHOLA2EHZ0.75
MCT4-METHYLCATECHOLA,B1DMH0.75