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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03522913

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.77
ANFANTHRONEH2BJM0.78
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.72
DHCCAFFEIC ACIDA1KOU0.72
43M4-CHLORO-3-METHYLPHENOLA2P7A0.73
SS11-PHENYLETHANOLH1UM50.72
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.85
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.71
MCT4-METHYLCATECHOLA1L4G0.79
MCT4-METHYLCATECHOLA2EHZ0.79
MCT4-METHYLCATECHOLA,B1DMH0.79
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.73
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.7
1NP1-NAPHTHOLX2ZVQ0.8
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.74
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
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.72
ESTESTRADIOLA,B1GWR0.86
ESTESTRADIOLA1FDS0.86
ESTESTRADIOLA,B,C1G500.86
ESTESTRADIOLA,B,C,D,E,F1ERE0.86
ESTESTRADIOLA,B1A520.86
ESTESTRADIOLA1FDT0.86
ESTESTRADIOLA2OCF0.86
ESTESTRADIOLA,B,C1QKU0.86
ESTESTRADIOLA,B,C,D,L1E6W0.86
ESTESTRADIOLA1IOL0.86
ESTESTRADIOLH1JNN0.86
ESTESTRADIOLB1QKT0.86
ESTESTRADIOLA1FDW0.86
ESTESTRADIOLA,B1AQU0.86
ESTESTRADIOLA1LHU0.86
ESTESTRADIOLA1A270.86
ESTESTRADIOLL1JGL0.86
ESTESTRADIOLA,B,E,F1PCG0.86
ESTESTRADIOLA,B,C,D1FDU0.86
ESTESTRADIOLA2J7X0.86
ESTESTRADIOLA,B2D060.86
2LP2-ALLYLPHENOLA1OV50.82
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.83
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.82
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.79
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.79
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.72
ECOESTRADIOL-6 CARBOXYL-METHYL-OXIMEB,D,F,H1JNH0.71
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.76
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.73
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.86
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.72
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.72
PCRP-CRESOLA1JHV0.82
PCRP-CRESOLA1JHU0.82
PCRP-CRESOLA,B,C,D1DIQ0.82
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.84
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.88
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.88
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.72
MUF(8alpha,10alpha,13alpha,17beta)-
17-[(4-hydroxyphenyl)carbonyl]androsta-
3,5-diene-3-carboxylic acid
A,B3BEJ0.71
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.72
MBD3-METHYLCATECHOLA1KNF0.78
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.73
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.75
4HP4-HYDROXYPHENYLACETATEA2YYJ0.75
4HP4-HYDROXYPHENYLACETATEA2YYM0.75
4HP4-HYDROXYPHENYLACETATEB1AI60.75
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.75
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
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
HC4A1TS60.75
HC4A3PHY0.75
HC4A3PYP0.75
HC4A1T1C0.75
HC4A1OT60.75
HC4A1TS00.75
HC4A1T1A0.75
HC4A2PYP0.75
HC4A2ZOI0.75
HC4A1OTI0.75
HC4A1XFQ0.75
HC4A2D010.75
HC4A,B,C,D,E,F,
G,H
2O7B0.75
HC4A2ZOH0.75
HC4A1GSW0.75
HC4A2QJ70.75
HC4A1F9I0.75
HC4X1UWP0.75
HC4A2PHY0.75
HC4A1T1B0.75
HC4A1F980.75
HC4A1T190.75
HC4X1UWN0.75
HC4A,B,C,D,E,F,
G,H
2O7F0.75
HC4A1UGU0.75
HC4A1TS80.75
HC4A,B1OTD0.75
HC4A1OTE0.75
HC4A1GSX0.75
HC4A1TS70.75
HC4A2PYR0.75
HC4A1S4S0.75
HC4A1GSV0.75
HC4A2I9V0.75
HC4A2QWS0.75
HC4A1XFN0.75
HC4A1S4R0.75
HC4A1T180.75
HC4A1OTA0.75
HC4A1D7E0.75
HC4A1S1Z0.75
HC4A,B,C1MZU0.75
HC4A,B1ODV0.75
HC4A,B2J3J0.75
HC4A2QJ50.75
HC4A1OTB0.75
HC4A2D020.75
HC4A1OT90.75
HC4A1NWZ0.75
HC4A1S1Y0.75
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.75
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.7
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.72
STLRESVERATROLA,B3CKL0.76
STLRESVERATROLA,B,C,D1U0W0.76
STLRESVERATROLA1CGZ0.76
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.76
STLRESVERATROLA1Z1F0.76
STLRESVERATROLA1DVS0.76
STLRESVERATROLA,B1SG00.76
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.84
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.87
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
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.77
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
OXNOXTOXYNOL-10A1IKT0.71
OXNOXTOXYNOL-10A,B2Q320.71
OXNOXTOXYNOL-10A,B1UEH0.71
OXNOXTOXYNOL-10A,B2D4Q0.71
LJ33,5-dibromobiphenyl-4-olA,B3CN20.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.72
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.83
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.89
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.86
12M(2-ETHYLPHENYL)METHANOLA,B2F620.74
CRSM-CRESOLA,B,C,D1EV30.83
CRSM-CRESOLA,B,C,D,E,F2OMG0.83
CRSM-CRESOLA,B1UZ90.83
CRSM-CRESOLA,B,C,D1ZEH0.83
CRSM-CRESOLA,B,C,D,E,F1ZEI0.83
CRSM-CRESOLA,C,D,E7INS0.83
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.83
AEF4-(2-aminoethyl)phenolA3BRA0.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.72
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.72
SS2(1R)-1-PHENYLETHANOLA1ZJY0.72
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.85
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.71
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.7
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.88
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.7
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.73
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
IPHPHENOLA,B2OLD0.71
IPHPHENOLA,B,C,D2PZV0.71
IPHPHENOLA1LI20.71
IPHPHENOLA2J9N0.71
IPHPHENOLA,B,C,D2OMB0.71
IPHPHENOLA1JHX0.71
IPHPHENOLA,B,C,D2VE70.71
IPHPHENOLB,D,E,G,H,J,L1AI00.71
IPHPHENOLA,B,C,D1FOH0.71
IPHPHENOLA1V030.71
IPHPHENOLA,C,E,G,I,K5AIY0.71
IPHPHENOLB,D,F,H,J,L1AIY0.71
IPHPHENOLA,B1XU50.71
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.71
IPHPHENOLA,C,E,G,I,K4AIY0.71
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.71
IPHPHENOLA2AS30.71
IPHPHENOLA,B,C,D1ZEG0.71
IPHPHENOLA,B,C,D1PN00.71
IPHPHENOLA,B,C,D1XW70.71
IPHPHENOLA,C,E,G,I,K,M1QIY0.71
IPHPHENOLA,B,C,D1Q4V0.71
IPHPHENOLB1AI70.71
IPHPHENOLA1FJW0.71
IPHPHENOLB,C,D1RWE0.71
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.71
IPHPHENOLB,C,D3GKY0.71
IPHPHENOLA1JHY0.71
IPHPHENOLA,C,E,G,I,K3AIY0.71
IPHPHENOLA,B2OMN0.71
IPHPHENOLA,C,E,G,I,K2AIY0.71
IPHPHENOLA,B,D1MPJ0.71
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.71
IPHPHENOLB,C,D1LPH0.71
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.7
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
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
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.74
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.83
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.84
ESLESTRIOLA1X8V0.84
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.83
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.83
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.79
EQIEQUILINA,B1EQU0.83
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.8
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.8
OBPA,B2DE30.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.73
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.81
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
D1NNAPHTHALENE-1,2-DIOLA2EI10.77
ESOO3-PHOSPHONOESTRONEB,C1ESS0.75
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.87
EYK2-tert-butylbenzene-1,4-diolB3EYK0.87
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.7
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.78
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.8
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.79
ETY4-ethylphenolA,B,C,D2RA60.84
EPTHEPTANYL-P-PHENOLA,B1AHZ0.87
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.82
DESDIETHYLSTILBESTROLA,B3ERD0.82
DESDIETHYLSTILBESTROLA,B1TT60.82
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.82
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.84
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.71
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.72
EQUEQUILENINA,B1OGX0.81
EQUEQUILENINA,B,C,D,E,F1QJG0.81
EQUEQUILENINA,B1OH00.81
EQUEQUILENINA1W6Y0.81
EQUEQUILENINA,B1CQS0.81
EQUEQUILENINA1OGZ0.81
EQUEQUILENINA1GS30.81
EQUEQUILENINA1OHO0.81
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
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.71
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.71