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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02703270

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.73
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.75
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.74
SS11-PHENYLETHANOLH1UM50.72
OBPA,B2DE30.75
FPN4-FLUOROPHENOLA,B1XVD0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.8
AC6P-HYDROXYACETOPHENONEA2GQ80.73
AC6P-HYDROXYACETOPHENONEX2O480.73
MBD3-METHYLCATECHOLA1KNF0.75
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.7
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.77
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.72
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.72
LDPL-DOPAMINEA,B2A3R0.72
LDPL-DOPAMINEA5PAH0.72
LDPL-DOPAMINEA,B2QMZ0.72
LDPL-DOPAMINEA,B2VQ50.72
2LP2-ALLYLPHENOLA1OV50.82
EPTHEPTANYL-P-PHENOLA,B1AHZ0.85
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.75
OHT4-HYDROXYTAMOXIFENA3ERT0.72
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.72
OHT4-HYDROXYTAMOXIFENA,B1VJB0.72
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.72
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.72
OHT4-HYDROXYTAMOXIFENA2GPU0.72
OHT4-HYDROXYTAMOXIFENA2P7Z0.72
OHT4-HYDROXYTAMOXIFENA,B2BJ40.72
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.72
ANFANTHRONEH2BJM0.77
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.76
AEF4-(2-aminoethyl)phenolA3BRA0.79
ESLESTRIOLA1X8V0.71
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.71
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.78
EYK2-tert-butylbenzene-1,4-diolB3EYK0.78
1NP1-NAPHTHOLX2ZVQ0.79
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
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.72
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
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.72
12M(2-ETHYLPHENYL)METHANOLA,B2F620.71
43M4-CHLORO-3-METHYLPHENOLA2P7A0.72
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.72
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
IOL4-IODOPHENOLA,B1EWA0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.75
4HP4-HYDROXYPHENYLACETATEA2YYJ0.75
4HP4-HYDROXYPHENYLACETATEA2YYM0.75
4HP4-HYDROXYPHENYLACETATEB1AI60.75
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.75
EQUEQUILENINA,B1OGX0.7
EQUEQUILENINA,B,C,D,E,F1QJG0.7
EQUEQUILENINA,B1OH00.7
EQUEQUILENINA1W6Y0.7
EQUEQUILENINA,B1CQS0.7
EQUEQUILENINA1OGZ0.7
EQUEQUILENINA1GS30.7
EQUEQUILENINA1OHO0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.78
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.84
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.75
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.7
ESTESTRADIOLA,B1GWR0.73
ESTESTRADIOLA1FDS0.73
ESTESTRADIOLA,B,C1G500.73
ESTESTRADIOLA,B,C,D,E,F1ERE0.73
ESTESTRADIOLA,B1A520.73
ESTESTRADIOLA1FDT0.73
ESTESTRADIOLA2OCF0.73
ESTESTRADIOLA,B,C1QKU0.73
ESTESTRADIOLA,B,C,D,L1E6W0.73
ESTESTRADIOLA1IOL0.73
ESTESTRADIOLH1JNN0.73
ESTESTRADIOLB1QKT0.73
ESTESTRADIOLA1FDW0.73
ESTESTRADIOLA,B1AQU0.73
ESTESTRADIOLA1LHU0.73
ESTESTRADIOLA1A270.73
ESTESTRADIOLL1JGL0.73
ESTESTRADIOLA,B,E,F1PCG0.73
ESTESTRADIOLA,B,C,D1FDU0.73
ESTESTRADIOLA2J7X0.73
ESTESTRADIOLA,B2D060.73
IPHPHENOLA,B2OLD0.73
IPHPHENOLA,B,C,D2PZV0.73
IPHPHENOLA1LI20.73
IPHPHENOLA2J9N0.73
IPHPHENOLA,B,C,D2OMB0.73
IPHPHENOLA1JHX0.73
IPHPHENOLA,B,C,D2VE70.73
IPHPHENOLB,D,E,G,H,J,L1AI00.73
IPHPHENOLA,B,C,D1FOH0.73
IPHPHENOLA1V030.73
IPHPHENOLA,C,E,G,I,K5AIY0.73
IPHPHENOLB,D,F,H,J,L1AIY0.73
IPHPHENOLA,B1XU50.73
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.73
IPHPHENOLA,C,E,G,I,K4AIY0.73
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.73
IPHPHENOLA2AS30.73
IPHPHENOLA,B,C,D1ZEG0.73
IPHPHENOLA,B,C,D1PN00.73
IPHPHENOLA,B,C,D1XW70.73
IPHPHENOLA,C,E,G,I,K,M1QIY0.73
IPHPHENOLA,B,C,D1Q4V0.73
IPHPHENOLB1AI70.73
IPHPHENOLA1FJW0.73
IPHPHENOLB,C,D1RWE0.73
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.73
IPHPHENOLB,C,D3GKY0.73
IPHPHENOLA1JHY0.73
IPHPHENOLA,C,E,G,I,K3AIY0.73
IPHPHENOLA,B2OMN0.73
IPHPHENOLA,C,E,G,I,K2AIY0.73
IPHPHENOLA,B,D1MPJ0.73
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.73
IPHPHENOLB,C,D1LPH0.73
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
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.88
DESDIETHYLSTILBESTROLA,B3ERD0.88
DESDIETHYLSTILBESTROLA,B1TT60.88
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.88
MCT4-METHYLCATECHOLA1L4G0.77
MCT4-METHYLCATECHOLA2EHZ0.77
MCT4-METHYLCATECHOLA,B1DMH0.77
MNN(S)-MANDELIC ACID NITRILEA1YB60.77
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.71
ETY4-ethylphenolA,B,C,D2RA60.86
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.85
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.86
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.76
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.75
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.77
D1NNAPHTHALENE-1,2-DIOLA2EI10.75
HC4A1TS60.76
HC4A3PHY0.76
HC4A3PYP0.76
HC4A1T1C0.76
HC4A1OT60.76
HC4A1TS00.76
HC4A1T1A0.76
HC4A2PYP0.76
HC4A2ZOI0.76
HC4A1OTI0.76
HC4A1XFQ0.76
HC4A2D010.76
HC4A,B,C,D,E,F,
G,H
2O7B0.76
HC4A2ZOH0.76
HC4A1GSW0.76
HC4A2QJ70.76
HC4A1F9I0.76
HC4X1UWP0.76
HC4A2PHY0.76
HC4A1T1B0.76
HC4A1F980.76
HC4A1T190.76
HC4X1UWN0.76
HC4A,B,C,D,E,F,
G,H
2O7F0.76
HC4A1UGU0.76
HC4A1TS80.76
HC4A,B1OTD0.76
HC4A1OTE0.76
HC4A1GSX0.76
HC4A1TS70.76
HC4A2PYR0.76
HC4A1S4S0.76
HC4A1GSV0.76
HC4A2I9V0.76
HC4A2QWS0.76
HC4A1XFN0.76
HC4A1S4R0.76
HC4A1T180.76
HC4A1OTA0.76
HC4A1D7E0.76
HC4A1S1Z0.76
HC4A,B,C1MZU0.76
HC4A,B1ODV0.76
HC4A,B2J3J0.76
HC4A2QJ50.76
HC4A1OTB0.76
HC4A2D020.76
HC4A1OT90.76
HC4A1NWZ0.76
HC4A1S1Y0.76
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.83
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.82
BPYBIPHENYL-2,3-DIOLA1KMY0.79
BPYBIPHENYL-2,3-DIOLB1KW80.79
BPYBIPHENYL-2,3-DIOLA2EI30.79
BPYBIPHENYL-2,3-DIOLA1EIR0.79
BPYBIPHENYL-2,3-DIOLB1KW60.79
BPYBIPHENYL-2,3-DIOLB1KWC0.79
BPYBIPHENYL-2,3-DIOLB1KW90.79
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
LJ33,5-dibromobiphenyl-4-olA,B3CN20.75
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.84
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.84
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.78
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.78
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
FP22-fluorophenolA3CPO0.71
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.77
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.81
PCRP-CRESOLA1JHV0.84
PCRP-CRESOLA1JHU0.84
PCRP-CRESOLA,B,C,D1DIQ0.84
2MP3,4-DIMETHYLPHENOLA1L5O0.82
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.79
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.74
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.72
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.82
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.75
EQIEQUILINA,B1EQU0.71
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.86
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.73
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.76
CRSM-CRESOLA,B,C,D1EV30.81
CRSM-CRESOLA,B,C,D,E,F2OMG0.81
CRSM-CRESOLA,B1UZ90.81
CRSM-CRESOLA,B,C,D1ZEH0.81
CRSM-CRESOLA,B,C,D,E,F1ZEI0.81
CRSM-CRESOLA,C,D,E7INS0.81
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.81
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.75
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
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.82
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77
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