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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03287466

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.88
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.88
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.81
BPYBIPHENYL-2,3-DIOLA1KMY0.78
BPYBIPHENYL-2,3-DIOLB1KW80.78
BPYBIPHENYL-2,3-DIOLA2EI30.78
BPYBIPHENYL-2,3-DIOLA1EIR0.78
BPYBIPHENYL-2,3-DIOLB1KW60.78
BPYBIPHENYL-2,3-DIOLB1KWC0.78
BPYBIPHENYL-2,3-DIOLB1KW90.78
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.85
EYK2-tert-butylbenzene-1,4-diolB3EYK0.85
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.75
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.73
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.73
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.78
VITVITAMIN EA,B1KPM0.71
VITVITAMIN EA,B3CXI0.71
VITVITAMIN EA,B3CYL0.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.75
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.75
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.77
DESDIETHYLSTILBESTROLA,B3ERD0.77
DESDIETHYLSTILBESTROLA,B1TT60.77
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.77
B76A,B2E9D0.73
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.84
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.7
DHCCAFFEIC ACIDA1KOU0.7
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.72
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.75
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.71
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.78
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.7
ESTESTRADIOLA,B1GWR0.74
ESTESTRADIOLA1FDS0.74
ESTESTRADIOLA,B,C1G500.74
ESTESTRADIOLA,B,C,D,E,F1ERE0.74
ESTESTRADIOLA,B1A520.74
ESTESTRADIOLA1FDT0.74
ESTESTRADIOLA2OCF0.74
ESTESTRADIOLA,B,C1QKU0.74
ESTESTRADIOLA,B,C,D,L1E6W0.74
ESTESTRADIOLA1IOL0.74
ESTESTRADIOLH1JNN0.74
ESTESTRADIOLB1QKT0.74
ESTESTRADIOLA1FDW0.74
ESTESTRADIOLA,B1AQU0.74
ESTESTRADIOLA1LHU0.74
ESTESTRADIOLA1A270.74
ESTESTRADIOLL1JGL0.74
ESTESTRADIOLA,B,E,F1PCG0.74
ESTESTRADIOLA,B,C,D1FDU0.74
ESTESTRADIOLA2J7X0.74
ESTESTRADIOLA,B2D060.74
MBD3-METHYLCATECHOLA1KNF0.77
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.78
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.79
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.79
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2JJ30.7
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2QE40.7
1NP1-NAPHTHOLX2ZVQ0.76
2LP2-ALLYLPHENOLA1OV50.79
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.71
CRSM-CRESOLA,B,C,D1EV30.78
CRSM-CRESOLA,B,C,D,E,F2OMG0.78
CRSM-CRESOLA,B1UZ90.78
CRSM-CRESOLA,B,C,D1ZEH0.78
CRSM-CRESOLA,B,C,D,E,F1ZEI0.78
CRSM-CRESOLA,C,D,E7INS0.78
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.78
ANFANTHRONEH2BJM0.74
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.71
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
2MP3,4-DIMETHYLPHENOLA1L5O0.79
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
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.81
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
ETY4-ethylphenolA,B,C,D2RA60.77
ESOO3-PHOSPHONOESTRONEB,C1ESS0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.8
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
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
B08A,B2E990.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.76
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.73
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
D1NNAPHTHALENE-1,2-DIOLA2EI10.73
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.85
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.84
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
OBPA,B2DE30.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.78
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
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
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.73
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.72
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.71
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.71
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.71
B28A,B2E9A0.71
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL
A1R5L0.71
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL
A1OIP0.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.76
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.71
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.77
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
MCT4-METHYLCATECHOLA1L4G0.75
MCT4-METHYLCATECHOLA2EHZ0.75
MCT4-METHYLCATECHOLA,B1DMH0.75
PCRP-CRESOLA1JHV0.75
PCRP-CRESOLA1JHU0.75
PCRP-CRESOLA,B,C,D1DIQ0.75
ESLESTRIOLA1X8V0.72