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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02298604

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.71
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.77
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.73
MBD3-METHYLCATECHOLA1KNF0.75
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.71
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.71
SS2(1R)-1-PHENYLETHANOLA1ZJY0.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.83
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
2LP2-ALLYLPHENOLA1OV50.82
2MP3,4-DIMETHYLPHENOLA1L5O0.78
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.73
ANFANTHRONEH2BJM0.72
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.76
CRSM-CRESOLA,B,C,D1EV30.77
CRSM-CRESOLA,B,C,D,E,F2OMG0.77
CRSM-CRESOLA,B1UZ90.77
CRSM-CRESOLA,B,C,D1ZEH0.77
CRSM-CRESOLA,B,C,D,E,F1ZEI0.77
CRSM-CRESOLA,C,D,E7INS0.77
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.77
ETY4-ethylphenolA,B,C,D2RA60.8
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.76
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.77
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
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
HTS2-MERCAPTOPHENOLA2OSM0.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.91
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
MCT4-METHYLCATECHOLA1L4G0.72
MCT4-METHYLCATECHOLA2EHZ0.72
MCT4-METHYLCATECHOLA,B1DMH0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.78
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.76
DESDIETHYLSTILBESTROLA,B3ERD0.76
DESDIETHYLSTILBESTROLA,B1TT60.76
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.76
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.71
HC4A1TS60.71
HC4A3PHY0.71
HC4A3PYP0.71
HC4A1T1C0.71
HC4A1OT60.71
HC4A1TS00.71
HC4A1T1A0.71
HC4A2PYP0.71
HC4A2ZOI0.71
HC4A1OTI0.71
HC4A1XFQ0.71
HC4A2D010.71
HC4A,B,C,D,E,F,
G,H
2O7B0.71
HC4A2ZOH0.71
HC4A1GSW0.71
HC4A2QJ70.71
HC4A1F9I0.71
HC4X1UWP0.71
HC4A2PHY0.71
HC4A1T1B0.71
HC4A1F980.71
HC4A1T190.71
HC4X1UWN0.71
HC4A,B,C,D,E,F,
G,H
2O7F0.71
HC4A1UGU0.71
HC4A1TS80.71
HC4A,B1OTD0.71
HC4A1OTE0.71
HC4A1GSX0.71
HC4A1TS70.71
HC4A2PYR0.71
HC4A1S4S0.71
HC4A1GSV0.71
HC4A2I9V0.71
HC4A2QWS0.71
HC4A1XFN0.71
HC4A1S4R0.71
HC4A1T180.71
HC4A1OTA0.71
HC4A1D7E0.71
HC4A1S1Z0.71
HC4A,B,C1MZU0.71
HC4A,B1ODV0.71
HC4A,B2J3J0.71
HC4A2QJ50.71
HC4A1OTB0.71
HC4A2D020.71
HC4A1OT90.71
HC4A1NWZ0.71
HC4A1S1Y0.71
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,D1Y0G0.79
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.83
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.71
SS11-PHENYLETHANOLH1UM50.71
PCRP-CRESOLA1JHV0.78
PCRP-CRESOLA1JHU0.78
PCRP-CRESOLA,B,C,D1DIQ0.78
1NP1-NAPHTHOLX2ZVQ0.75
AEF4-(2-aminoethyl)phenolA3BRA0.72
OBPA,B2DE30.81
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.71
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.71
ZTWRALOXIFENE COREA,B1GWQ0.76
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.79
EYK2-tert-butylbenzene-1,4-diolB3EYK0.79
D1NNAPHTHALENE-1,2-DIOLA2EI10.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.81
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
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.82
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.77