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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02232933

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VITVITAMIN EA,B1KPM0.79
VITVITAMIN EA,B3CXI0.79
VITVITAMIN EA,B3CYL0.79
ETY4-ethylphenolA,B,C,D2RA60.81
EPTHEPTANYL-P-PHENOLA,B1AHZ0.84
OBPA,B2DE30.73
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.7
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
C,D,E1EZV0.73
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
A,C,D,E1P840.73
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
C,D,E2IBZ0.73
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
A,C,D,E1KB90.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.74
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.89
EYK2-tert-butylbenzene-1,4-diolB3EYK0.89
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.74
LDPL-DOPAMINEA,B2A3R0.7
LDPL-DOPAMINEA5PAH0.7
LDPL-DOPAMINEA,B2QMZ0.7
LDPL-DOPAMINEA,B2VQ50.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.7
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.7
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
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.72
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.83
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.83
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.82
2LP2-ALLYLPHENOLA1OV50.83
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.75
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.74
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.74
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
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.82
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.74
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
EQUEQUILENINA,B1OGX0.72
EQUEQUILENINA,B,C,D,E,F1QJG0.72
EQUEQUILENINA,B1OH00.72
EQUEQUILENINA1W6Y0.72
EQUEQUILENINA,B1CQS0.72
EQUEQUILENINA1OGZ0.72
EQUEQUILENINA1GS30.72
EQUEQUILENINA1OHO0.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.88
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.7
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.73
43M4-CHLORO-3-METHYLPHENOLA2P7A0.72
SS11-PHENYLETHANOLH1UM50.73
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.72
EQIEQUILINA,B1EQU0.72
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.73
1NP1-NAPHTHOLX2ZVQ0.81
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.85
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.77
ESTESTRADIOLA,B1GWR0.75
ESTESTRADIOLA1FDS0.75
ESTESTRADIOLA,B,C1G500.75
ESTESTRADIOLA,B,C,D,E,F1ERE0.75
ESTESTRADIOLA,B1A520.75
ESTESTRADIOLA1FDT0.75
ESTESTRADIOLA2OCF0.75
ESTESTRADIOLA,B,C1QKU0.75
ESTESTRADIOLA,B,C,D,L1E6W0.75
ESTESTRADIOLA1IOL0.75
ESTESTRADIOLH1JNN0.75
ESTESTRADIOLB1QKT0.75
ESTESTRADIOLA1FDW0.75
ESTESTRADIOLA,B1AQU0.75
ESTESTRADIOLA1LHU0.75
ESTESTRADIOLA1A270.75
ESTESTRADIOLL1JGL0.75
ESTESTRADIOLA,B,E,F1PCG0.75
ESTESTRADIOLA,B,C,D1FDU0.75
ESTESTRADIOLA2J7X0.75
ESTESTRADIOLA,B2D060.75
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.7
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.83
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
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.72
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.76
CRSM-CRESOLA,B,C,D1EV30.82
CRSM-CRESOLA,B,C,D,E,F2OMG0.82
CRSM-CRESOLA,B1UZ90.82
CRSM-CRESOLA,B,C,D1ZEH0.82
CRSM-CRESOLA,B,C,D,E,F1ZEI0.82
CRSM-CRESOLA,C,D,E7INS0.82
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.82
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.79
MBD3-METHYLCATECHOLA1KNF0.8
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.83
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
BPYBIPHENYL-2,3-DIOLA1KMY0.81
BPYBIPHENYL-2,3-DIOLB1KW80.81
BPYBIPHENYL-2,3-DIOLA2EI30.81
BPYBIPHENYL-2,3-DIOLA1EIR0.81
BPYBIPHENYL-2,3-DIOLB1KW60.81
BPYBIPHENYL-2,3-DIOLB1KWC0.81
BPYBIPHENYL-2,3-DIOLB1KW90.81
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.87
ESLESTRIOLA1X8V0.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.74
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.73
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.77
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.77
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.77
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.79
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.79
MCT4-METHYLCATECHOLA1L4G0.78
MCT4-METHYLCATECHOLA2EHZ0.78
MCT4-METHYLCATECHOLA,B1DMH0.78
PCRP-CRESOLA1JHV0.78
PCRP-CRESOLA1JHU0.78
PCRP-CRESOLA,B,C,D1DIQ0.78
STLRESVERATROLA,B3CKL0.75
STLRESVERATROLA,B,C,D1U0W0.75
STLRESVERATROLA1CGZ0.75
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.75
STLRESVERATROLA1Z1F0.75
STLRESVERATROLA1DVS0.75
STLRESVERATROLA,B1SG00.75
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.79
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.73
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
LJ33,5-dibromobiphenyl-4-olA,B3CN20.72
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.91
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.8
DESDIETHYLSTILBESTROLA,B3ERD0.8
DESDIETHYLSTILBESTROLA,B1TT60.8
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.8
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.7
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.81
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.75
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.77
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.88
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
AEF4-(2-aminoethyl)phenolA3BRA0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.77
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.71
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.73
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.73
SS2(1R)-1-PHENYLETHANOLA1ZJY0.73
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,D1Y0G0.82
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL
A1R5L0.79
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL
A1OIP0.79
ANFANTHRONEH2BJM0.82
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.79