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: MMs03780618

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.87
W294-(3-ethylthiophen-2-yl)benzene-
1,2-diol
A3D270.72
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.84
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.8
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.71
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.74
TCT6-(4-CHLORO-2-HYDROXY-PHENOXY)-
NAPHTHALEN-2-OL
A,B1NNU0.77
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.75
1NP1-NAPHTHOLX2ZVQ0.83
EQIEQUILINA,B1EQU0.75
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
JPA4-(2,4-DICHLOROPHENOXY)-2'-METHYLBIPHENYL-
3-OL
A,B2FOI0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.79
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.77
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.73
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.82
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.82
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.82
E3O(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-
TRIENE-3,16,17-TRIOL
A2J7Y0.82
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZS0.71
PYP2'-DEOXYRIBOFURANOSYLPYRENE-5'-
MONOPHOSPHATE
A,B1FZL0.71
JPN2-(2,4-DICHLOROPHENOXY)-5-(3-PHENYLPROPYL)PHENOLA,B2OL40.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.79
BPA7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENEA1JDG0.78
ESLESTRIOLA1X8V0.82
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA,B2OOS0.71
JPJ2-(2,4-DICHLOROPHENOXY)-5-(2-PHENYLETHYL)PHENOLA3FNH0.71
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.74
D1NNAPHTHALENE-1,2-DIOLA2EI10.9
HE74-{[(14beta,17alpha)-3-hydroxyestra-
1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid
A,B,C,D2Z770.74
OBPA,B2DE30.7
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.78
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.76
B76A,B2E9D0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.78
BPYBIPHENYL-2,3-DIOLA1KMY0.85
BPYBIPHENYL-2,3-DIOLB1KW80.85
BPYBIPHENYL-2,3-DIOLA2EI30.85
BPYBIPHENYL-2,3-DIOLA1EIR0.85
BPYBIPHENYL-2,3-DIOLB1KW60.85
BPYBIPHENYL-2,3-DIOLB1KWC0.85
BPYBIPHENYL-2,3-DIOLB1KW90.85
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.85
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.85
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,D1Y0G0.75
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.7
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXV0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,E2IBK0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,C,D,E,F2IA60.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1Y9H0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1FYY0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXO0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1DXA0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1AXL0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,B,D,E,F1S0M0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA1BPS0.78
BAP1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEA,C1XC90.78
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.7
EED(9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-
11-(METHOXYMETHYL)ESTRA-1(10),2,4-
TRIENE-3,17-DIOL
A,B2QGT0.78
1963-(3-FLUORO-4-HYDROXYPHENYL)-7-
HYDROXY-1-NAPHTHONITRILE
A,B1YYE0.85
2NAnaphthalen-2-ylmethanolA,B,C3EE50.75
B28A,B2E9A0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.81
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.72
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.78
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.77
MCT4-METHYLCATECHOLA1L4G0.8
MCT4-METHYLCATECHOLA2EHZ0.8
MCT4-METHYLCATECHOLA,B1DMH0.8
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.84
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
EPTHEPTANYL-P-PHENOLA,B1AHZ0.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.83
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.72
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE
A,B146D0.71
CRH1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYROXY-7-METHYLANTHRACENE
A,B207D0.71
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.77
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.71
LJ33,5-dibromobiphenyl-4-olA,B3CN20.71
2LP2-ALLYLPHENOLA1OV50.73
DXA1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE
A,B1CP80.71
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.82
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.81
DESDIETHYLSTILBESTROLA,B3ERD0.81
DESDIETHYLSTILBESTROLA,B1TT60.81
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.81
STLRESVERATROLA,B3CKL0.74
STLRESVERATROLA,B,C,D1U0W0.74
STLRESVERATROLA1CGZ0.74
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.74
STLRESVERATROLA1Z1F0.74
STLRESVERATROLA1DVS0.74
STLRESVERATROLA,B1SG00.74
ESM1,3,5(10)-ESTRATRIEN-2,3,17-BETA-
TRIOL 2-METHYL ETHER
A1LHW0.77
MBD3-METHYLCATECHOLA1KNF0.8
ECOESTRADIOL-6 CARBOXYL-METHYL-OXIMEB,D,F,H1JNH0.72
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL
A1JNQ0.7
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.72
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.78
EQUEQUILENINA,B1OGX0.82
EQUEQUILENINA,B,C,D,E,F1QJG0.82
EQUEQUILENINA,B1OH00.82
EQUEQUILENINA1W6Y0.82
EQUEQUILENINA,B1CQS0.82
EQUEQUILENINA1OGZ0.82
EQUEQUILENINA1GS30.82
EQUEQUILENINA1OHO0.82
2MP3,4-DIMETHYLPHENOLA1L5O0.79
LZ25-hydroxynaphthalene-1-sulfonamideA2VTH0.73
ANFANTHRONEH2BJM0.88
MAXMATAIRESINOLA2BGM0.72
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.71
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.79
DXB1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1-
METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)-
8,9-DIHYDROXY-7-METHYL-ANTHRACENE
A,B1BP80.71
ESOO3-PHOSPHONOESTRONEB,C1ESS0.72
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.71
4NA1-CHLORO-6-(4-HYDROXYPHENYL)-2-
NAPHTHOL
A,B1YY40.83
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.82
3695-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)-
7-methylnaphthalen-2-ol
A,B3DT30.81
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
ECS2,3,17BETA-TRIHYDROXY-1,3,5(10)-
ESTRATRIENE
A,B,C,D2BW70.84
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.76
DHCCAFFEIC ACIDA1KOU0.76
ESTESTRADIOLA,B1GWR0.81
ESTESTRADIOLA1FDS0.81
ESTESTRADIOLA,B,C1G500.81
ESTESTRADIOLA,B,C,D,E,F1ERE0.81
ESTESTRADIOLA,B1A520.81
ESTESTRADIOLA1FDT0.81
ESTESTRADIOLA2OCF0.81
ESTESTRADIOLA,B,C1QKU0.81
ESTESTRADIOLA,B,C,D,L1E6W0.81
ESTESTRADIOLA1IOL0.81
ESTESTRADIOLH1JNN0.81
ESTESTRADIOLB1QKT0.81
ESTESTRADIOLA1FDW0.81
ESTESTRADIOLA,B1AQU0.81
ESTESTRADIOLA1LHU0.81
ESTESTRADIOLA1A270.81
ESTESTRADIOLL1JGL0.81
ESTESTRADIOLA,B,E,F1PCG0.81
ESTESTRADIOLA,B,C,D1FDU0.81
ESTESTRADIOLA2J7X0.81
ESTESTRADIOLA,B2D060.81
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.73
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.8
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.7
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.87
JPM5-benzyl-2-(2,4-dichlorophenoxy)phenolA,B,C,D3FNF0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.76
EYK2-tert-butylbenzene-1,4-diolB3EYK0.76
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.83
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.72
ETY4-ethylphenolA,B,C,D2RA60.75
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.71
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.76
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.79
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.79
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.79
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.7
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.74
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.74
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.79
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.79
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.79
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.81
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.79
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.79
EZT(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-
1(10),2,4-TRIENE-3,17-DIOL
A,B2P150.79