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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02859099

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.88
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.75
HBAP-HYDROXYBENZALDEHYDEA1K030.7
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.7
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.7
HBAP-HYDROXYBENZALDEHYDEA2GQ90.7
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.7
HBAP-HYDROXYBENZALDEHYDEA1OYB0.7
OBPA,B2DE30.75
HTS2-MERCAPTOPHENOLA2OSM0.7
2MP3,4-DIMETHYLPHENOLA1L5O0.91
IPHPHENOLA,B2OLD0.77
IPHPHENOLA,B,C,D2PZV0.77
IPHPHENOLA1LI20.77
IPHPHENOLA2J9N0.77
IPHPHENOLA,B,C,D2OMB0.77
IPHPHENOLA1JHX0.77
IPHPHENOLA,B,C,D2VE70.77
IPHPHENOLB,D,E,G,H,J,L1AI00.77
IPHPHENOLA,B,C,D1FOH0.77
IPHPHENOLA1V030.77
IPHPHENOLA,C,E,G,I,K5AIY0.77
IPHPHENOLB,D,F,H,J,L1AIY0.77
IPHPHENOLA,B1XU50.77
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.77
IPHPHENOLA,C,E,G,I,K4AIY0.77
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.77
IPHPHENOLA2AS30.77
IPHPHENOLA,B,C,D1ZEG0.77
IPHPHENOLA,B,C,D1PN00.77
IPHPHENOLA,B,C,D1XW70.77
IPHPHENOLA,C,E,G,I,K,M1QIY0.77
IPHPHENOLA,B,C,D1Q4V0.77
IPHPHENOLB1AI70.77
IPHPHENOLA1FJW0.77
IPHPHENOLB,C,D1RWE0.77
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.77
IPHPHENOLB,C,D3GKY0.77
IPHPHENOLA1JHY0.77
IPHPHENOLA,C,E,G,I,K3AIY0.77
IPHPHENOLA,B2OMN0.77
IPHPHENOLA,C,E,G,I,K2AIY0.77
IPHPHENOLA,B,D1MPJ0.77
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.77
IPHPHENOLB,C,D1LPH0.77
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.85
EYK2-tert-butylbenzene-1,4-diolB3EYK0.85
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.74
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.71
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.74
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.82
EQIEQUILINA,B1EQU0.74
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.78
4HP4-HYDROXYPHENYLACETATEA2YYJ0.78
4HP4-HYDROXYPHENYLACETATEA2YYM0.78
4HP4-HYDROXYPHENYLACETATEB1AI60.78
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.78
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.74
STLRESVERATROLA,B3CKL0.8
STLRESVERATROLA,B,C,D1U0W0.8
STLRESVERATROLA1CGZ0.8
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.8
STLRESVERATROLA1Z1F0.8
STLRESVERATROLA1DVS0.8
STLRESVERATROLA,B1SG00.8
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.76
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.76
SS2(1R)-1-PHENYLETHANOLA1ZJY0.76
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.74
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.82
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.75
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.71
ANFANTHRONEH2BJM0.77
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.7
AEF4-(2-aminoethyl)phenolA3BRA0.79
2LP2-ALLYLPHENOLA1OV50.87
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.72
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
MCT4-METHYLCATECHOLA1L4G0.83
MCT4-METHYLCATECHOLA2EHZ0.83
MCT4-METHYLCATECHOLA,B1DMH0.83
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.88
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.75
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.75
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.75
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.75
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.74
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.74
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.7
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.77
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.87
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.83
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.83
43M4-CHLORO-3-METHYLPHENOLA2P7A0.77
12M(2-ETHYLPHENYL)METHANOLA,B2F620.76
1NP1-NAPHTHOLX2ZVQ0.81
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.84
DESDIETHYLSTILBESTROLA,B3ERD0.84
DESDIETHYLSTILBESTROLA,B1TT60.84
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.84
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.7
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.7
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.7
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.76
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.7
FP22-fluorophenolA3CPO0.75
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
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,D1Y0G0.84
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.73
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.73
MBD3-METHYLCATECHOLA1KNF0.8
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.83
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.71
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
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.81
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.81
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.74
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.87
FFP2,6-DIFLUOROPHENOLA2INX0.73
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.9
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.74
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.77
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.79
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.79
ESTESTRADIOLA,B1GWR0.76
ESTESTRADIOLA1FDS0.76
ESTESTRADIOLA,B,C1G500.76
ESTESTRADIOLA,B,C,D,E,F1ERE0.76
ESTESTRADIOLA,B1A520.76
ESTESTRADIOLA1FDT0.76
ESTESTRADIOLA2OCF0.76
ESTESTRADIOLA,B,C1QKU0.76
ESTESTRADIOLA,B,C,D,L1E6W0.76
ESTESTRADIOLA1IOL0.76
ESTESTRADIOLH1JNN0.76
ESTESTRADIOLB1QKT0.76
ESTESTRADIOLA1FDW0.76
ESTESTRADIOLA,B1AQU0.76
ESTESTRADIOLA1LHU0.76
ESTESTRADIOLA1A270.76
ESTESTRADIOLL1JGL0.76
ESTESTRADIOLA,B,E,F1PCG0.76
ESTESTRADIOLA,B,C,D1FDU0.76
ESTESTRADIOLA2J7X0.76
ESTESTRADIOLA,B2D060.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.9
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.74
IOL4-IODOPHENOLA,B1EWA0.75
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.78
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.78
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.78
SS11-PHENYLETHANOLH1UM50.76
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.71
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.76
DHCCAFFEIC ACIDA1KOU0.76
ETY4-ethylphenolA,B,C,D2RA60.91
ESLESTRIOLA1X8V0.74
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.83
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.83
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.79
AC6P-HYDROXYACETOPHENONEA2GQ80.76
AC6P-HYDROXYACETOPHENONEX2O480.76
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.86
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.86
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.71
LJ33,5-dibromobiphenyl-4-olA,B3CN20.77
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.79
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.83
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.72
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.72
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.72
RCORESORCINOLA,B,C,D,E,F2OMH0.72
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.72
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.72
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.72
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.72
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.78
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.75
D1NNAPHTHALENE-1,2-DIOLA2EI10.77
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.7
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.75
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.75
FPN4-FLUOROPHENOLA,B1XVD0.75
PCRP-CRESOLA1JHV0.89
PCRP-CRESOLA1JHU0.89
PCRP-CRESOLA,B,C,D1DIQ0.89
CAQCATECHOLB2BUY0.72
CAQCATECHOLA1KND0.72
CAQCATECHOLB2BUQ0.72
CAQCATECHOLA,B1DLT0.72
CAQCATECHOLA1XEP0.72
CAQCATECHOLA2PUM0.72
EQUEQUILENINA,B1OGX0.71
EQUEQUILENINA,B,C,D,E,F1QJG0.71
EQUEQUILENINA,B1OH00.71
EQUEQUILENINA1W6Y0.71
EQUEQUILENINA,B1CQS0.71
EQUEQUILENINA1OGZ0.71
EQUEQUILENINA1GS30.71
EQUEQUILENINA1OHO0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.74
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.74
CRSM-CRESOLA,B,C,D1EV30.88
CRSM-CRESOLA,B,C,D,E,F2OMG0.88
CRSM-CRESOLA,B1UZ90.88
CRSM-CRESOLA,B,C,D1ZEH0.88
CRSM-CRESOLA,B,C,D,E,F1ZEI0.88
CRSM-CRESOLA,C,D,E7INS0.88
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.88
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.73
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.71
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.7
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.72
HC4A1TS60.8
HC4A3PHY0.8
HC4A3PYP0.8
HC4A1T1C0.8
HC4A1OT60.8
HC4A1TS00.8
HC4A1T1A0.8
HC4A2PYP0.8
HC4A2ZOI0.8
HC4A1OTI0.8
HC4A1XFQ0.8
HC4A2D010.8
HC4A,B,C,D,E,F,
G,H
2O7B0.8
HC4A2ZOH0.8
HC4A1GSW0.8
HC4A2QJ70.8
HC4A1F9I0.8
HC4X1UWP0.8
HC4A2PHY0.8
HC4A1T1B0.8
HC4A1F980.8
HC4A1T190.8
HC4X1UWN0.8
HC4A,B,C,D,E,F,
G,H
2O7F0.8
HC4A1UGU0.8
HC4A1TS80.8
HC4A,B1OTD0.8
HC4A1OTE0.8
HC4A1GSX0.8
HC4A1TS70.8
HC4A2PYR0.8
HC4A1S4S0.8
HC4A1GSV0.8
HC4A2I9V0.8
HC4A2QWS0.8
HC4A1XFN0.8
HC4A1S4R0.8
HC4A1T180.8
HC4A1OTA0.8
HC4A1D7E0.8
HC4A1S1Z0.8
HC4A,B,C1MZU0.8
HC4A,B1ODV0.8
HC4A,B2J3J0.8
HC4A2QJ50.8
HC4A1OTB0.8
HC4A2D020.8
HC4A1OT90.8
HC4A1NWZ0.8
HC4A1S1Y0.8
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.78
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.71