MMsINC Database Search
logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03514635

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.73
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.75
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.73
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.73
ESOO3-PHOSPHONOESTRONEB,C1ESS0.71
2NAnaphthalen-2-ylmethanolA,B,C3EE50.7
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL
A1R5L0.74
VIV(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-
4,8,12-TRIMETHYLTRIDECYL]CHROMAN-
6-OL
A1OIP0.74
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.75
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.82
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.84
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.84
EYK2-tert-butylbenzene-1,4-diolB3EYK0.84
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.83
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.75
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.84
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.82
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.73
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.73
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.74
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.75
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.71
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.72
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.72
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.72
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.76
1NP1-NAPHTHOLX2ZVQ0.79
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2JJ30.72
JJ3(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
6-(METHOXYMETHYL)-1,2,3,3A,4,9B-
HEXAHYDROCYCLOPENTA[C]CHROMEN-8-
OL
A,B2QE40.72
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.71
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.81
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
ESLESTRIOLA1X8V0.81
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.7
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.7
FBR(9aS)-4-bromo-9a-butyl-7-hydroxy-
1,2,9,9a-tetrahydro-3H-fluoren-
3-one
A2GIU0.73
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.74
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.79
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.7
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.7
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.85
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.75
OBPA,B2DE30.72
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.77
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.72
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.8
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.8
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.82
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.78
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.78
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
A1AAX0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
ANFANTHRONEH2BJM0.79
ETY4-ethylphenolA,B,C,D2RA60.77
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.82
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
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.82
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.81
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.79
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.85
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
BPYBIPHENYL-2,3-DIOLA1KMY0.8
BPYBIPHENYL-2,3-DIOLB1KW80.8
BPYBIPHENYL-2,3-DIOLA2EI30.8
BPYBIPHENYL-2,3-DIOLA1EIR0.8
BPYBIPHENYL-2,3-DIOLB1KW60.8
BPYBIPHENYL-2,3-DIOLB1KWC0.8
BPYBIPHENYL-2,3-DIOLB1KW90.8
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.86
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.86
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.73
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.85
LJ33,5-dibromobiphenyl-4-olA,B3CN20.72
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.76
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.7
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.71
EQUEQUILENINA,B1OGX0.79
EQUEQUILENINA,B,C,D,E,F1QJG0.79
EQUEQUILENINA,B1OH00.79
EQUEQUILENINA1W6Y0.79
EQUEQUILENINA,B1CQS0.79
EQUEQUILENINA1OGZ0.79
EQUEQUILENINA1GS30.79
EQUEQUILENINA1OHO0.79
MBD3-METHYLCATECHOLA1KNF0.76
VITVITAMIN EA,B1KPM0.74
VITVITAMIN EA,B3CXI0.74
VITVITAMIN EA,B3CYL0.74
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.73
ESTESTRADIOLA,B1GWR0.82
ESTESTRADIOLA1FDS0.82
ESTESTRADIOLA,B,C1G500.82
ESTESTRADIOLA,B,C,D,E,F1ERE0.82
ESTESTRADIOLA,B1A520.82
ESTESTRADIOLA1FDT0.82
ESTESTRADIOLA2OCF0.82
ESTESTRADIOLA,B,C1QKU0.82
ESTESTRADIOLA,B,C,D,L1E6W0.82
ESTESTRADIOLA1IOL0.82
ESTESTRADIOLH1JNN0.82
ESTESTRADIOLB1QKT0.82
ESTESTRADIOLA1FDW0.82
ESTESTRADIOLA,B1AQU0.82
ESTESTRADIOLA1LHU0.82
ESTESTRADIOLA1A270.82
ESTESTRADIOLL1JGL0.82
ESTESTRADIOLA,B,E,F1PCG0.82
ESTESTRADIOLA,B,C,D1FDU0.82
ESTESTRADIOLA2J7X0.82
ESTESTRADIOLA,B2D060.82
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.73
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.78
D1NNAPHTHALENE-1,2-DIOLA2EI10.78
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71
2LP2-ALLYLPHENOLA1OV50.77
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.83
DESDIETHYLSTILBESTROLA,B3ERD0.83
DESDIETHYLSTILBESTROLA,B1TT60.83
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.83
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.83
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.83
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.78
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.73
CRSM-CRESOLA,B,C,D1EV30.76
CRSM-CRESOLA,B,C,D,E,F2OMG0.76
CRSM-CRESOLA,B1UZ90.76
CRSM-CRESOLA,B,C,D1ZEH0.76
CRSM-CRESOLA,B,C,D,E,F1ZEI0.76
CRSM-CRESOLA,C,D,E7INS0.76
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.76
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.79
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.72
MCT4-METHYLCATECHOLA1L4G0.75
MCT4-METHYLCATECHOLA2EHZ0.75
MCT4-METHYLCATECHOLA,B1DMH0.75
PCRP-CRESOLA1JHV0.75
PCRP-CRESOLA1JHU0.75
PCRP-CRESOLA,B,C,D1DIQ0.75
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.83
EQIEQUILINA,B1EQU0.79