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: MMs02270581

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.83
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.79
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.84
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.79
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.72
ESTESTRADIOLA,B1GWR0.7
ESTESTRADIOLA1FDS0.7
ESTESTRADIOLA,B,C1G500.7
ESTESTRADIOLA,B,C,D,E,F1ERE0.7
ESTESTRADIOLA,B1A520.7
ESTESTRADIOLA1FDT0.7
ESTESTRADIOLA2OCF0.7
ESTESTRADIOLA,B,C1QKU0.7
ESTESTRADIOLA,B,C,D,L1E6W0.7
ESTESTRADIOLA1IOL0.7
ESTESTRADIOLH1JNN0.7
ESTESTRADIOLB1QKT0.7
ESTESTRADIOLA1FDW0.7
ESTESTRADIOLA,B1AQU0.7
ESTESTRADIOLA1LHU0.7
ESTESTRADIOLA1A270.7
ESTESTRADIOLL1JGL0.7
ESTESTRADIOLA,B,E,F1PCG0.7
ESTESTRADIOLA,B,C,D1FDU0.7
ESTESTRADIOLA2J7X0.7
ESTESTRADIOLA,B2D060.7
PEL2-PHENYL-ETHANOLA,B1I0D0.8
PEL2-PHENYL-ETHANOLD,H2I0T0.8
PEL2-PHENYL-ETHANOLA,B1HZY0.8
PEL2-PHENYL-ETHANOLA,B1I0B0.8
PEL2-PHENYL-ETHANOLA1EYW0.8
PEL2-PHENYL-ETHANOLA,B1JGM0.8
RSOR-STYRENE OXIDEA,B1PWZ0.85
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,B1JP30.73
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
A2W220.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A1BW70.75
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,T2VA30.75
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,F2V9W0.75
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,E,F2VA20.75
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
1,21EEK0.75
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B2G920.74
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B,C,D2Q1O0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.7
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.72
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.72
TBT8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE-
8,9,10-TRIOL
A1DJD0.7
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.87
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.87
SS2(1R)-1-PHENYLETHANOLA1ZJY0.87
EPTHEPTANYL-P-PHENOLA,B1AHZ0.75
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
CRSM-CRESOLA,B,C,D1EV30.72
CRSM-CRESOLA,B,C,D,E,F2OMG0.72
CRSM-CRESOLA,B1UZ90.72
CRSM-CRESOLA,B,C,D1ZEH0.72
CRSM-CRESOLA,B,C,D,E,F1ZEI0.72
CRSM-CRESOLA,C,D,E7INS0.72
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.72
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1DL40.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1I7V0.7
BZA1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1QBY0.7
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
SMN(S)-MANDELIC ACIDA1MDL0.74
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A2ROU0.7
BPJ(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HX40.7
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.7
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.7
341(3,5-difluorophenyl)methanolC3EON0.77
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.78
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.78
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
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A,P,T2I9G0.7
BPI(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-
2,3,4-TRIOL
A1HWV0.7
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.77
OXNOXTOXYNOL-10A1IKT0.73
OXNOXTOXYNOL-10A,B2Q320.73
OXNOXTOXYNOL-10A,B1UEH0.73
OXNOXTOXYNOL-10A,B2D4Q0.73
BZR1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE-
2,3,4-TRIOL
A1MXJ0.7
MBD3-METHYLCATECHOLA1KNF0.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.79
6894-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B1ZKY0.76
S1ASORAPHEN AA,B3GID0.72
S1ASORAPHEN AA,B,C1W960.72
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.79
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.72
RMN(R)-MANDELIC ACIDA1MDL0.74
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.74
2LP2-ALLYLPHENOLA1OV50.73
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.73
FFD(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-
5-O-phosphono-D-erythro-pentitol
A,B,C,D,E,F,
G,H,I,J,K,L
2PIS0.76
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.8
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.75
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.81
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
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.71
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.72
OBZO-benzylhydroxylamineA,B3DTH0.77
OBZO-benzylhydroxylamineA,B3DTG0.77
SS11-PHENYLETHANOLH1UM50.87
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.77
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.73
ENM(5S,8R,9S,10S,13R,14S,17S)-13-{2-
[(3,5-DIFLUOROBENZYL)OXY]ETHYL}-
17-HYDROXY-10-METHYLHEXADECAHYDRO-
3H-CYCLOPENTA[A]PHENANTHREN-3-ONE
A2PNU0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.71
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.71
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.73
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.78
ETY4-ethylphenolA,B,C,D2RA60.73
T3O4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3-
OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL
A,B2G440.77
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.78
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.78
4594-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-
8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2FAI0.76
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.82
PHQFORMIC ACID BENZYL ESTERA1KJO0.82
PHQFORMIC ACID BENZYL ESTERI2CDR0.82
PHQFORMIC ACID BENZYL ESTERI2C1E0.82
PHQFORMIC ACID BENZYL ESTERI5PAD0.82
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.82
PHQFORMIC ACID BENZYL ESTERA2CNO0.82
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.82
PHQFORMIC ACID BENZYL ESTERI2AZ90.82
PHQFORMIC ACID BENZYL ESTERI2C2K0.82
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.82
PHQFORMIC ACID BENZYL ESTERA1KJP0.82
PHQFORMIC ACID BENZYL ESTERI2C2M0.82
PHQFORMIC ACID BENZYL ESTERI2AZB0.82
PHQFORMIC ACID BENZYL ESTERA9HVP0.82
PHQFORMIC ACID BENZYL ESTERA1ESB0.82
PHQFORMIC ACID BENZYL ESTERE,F1DY80.82
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.82
PHQFORMIC ACID BENZYL ESTERI1GEC0.82
PHQFORMIC ACID BENZYL ESTERA1KS70.82
PHQFORMIC ACID BENZYL ESTERC1A8G0.82
PHQFORMIC ACID BENZYL ESTERA1KKK0.82
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.82
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.82
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.82
PHQFORMIC ACID BENZYL ESTERA1KTO0.82
PHQFORMIC ACID BENZYL ESTERA,C1TG10.82
PHQFORMIC ACID BENZYL ESTERI2AZ80.82
PHQFORMIC ACID BENZYL ESTERA,B2G580.82
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.82
PHQFORMIC ACID BENZYL ESTERI2CJY0.82
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.82
PHQFORMIC ACID BENZYL ESTERA1KR60.82
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.82
PHQFORMIC ACID BENZYL ESTERA1KRO0.82
PHQFORMIC ACID BENZYL ESTERI2CNN0.82
PHQFORMIC ACID BENZYL ESTERI2C2O0.82
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.82
PHQFORMIC ACID BENZYL ESTERA,B1THE0.82
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.82
PHQFORMIC ACID BENZYL ESTERE,I5EST0.82
PHQFORMIC ACID BENZYL ESTERI2CNK0.82
PHQFORMIC ACID BENZYL ESTERA1KL60.82
PHQFORMIC ACID BENZYL ESTERI6PAD0.82
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.82
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
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.73