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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00002982

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.71
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL
A1JNQ0.76
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.71
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.75
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
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.71
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.78
258(2-chloroethoxy)benzeneX2RAY0.77
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.77
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.77
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.71
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.71
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FF50.72
H532-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-
3,4,5-TRIOL
A2FET0.72
OXNOXTOXYNOL-10A1IKT0.73
OXNOXTOXYNOL-10A,B2Q320.73
OXNOXTOXYNOL-10A,B1UEH0.73
OXNOXTOXYNOL-10A,B2D4Q0.73
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.71
2682-phenoxyethanolA2RBR0.89
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.72
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.73
DCNDICLOSANA,B,C,D2PD40.78
2612-ethoxyphenolX2RB10.89
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.7
NOANAPHTHYLOXYACETIC ACIDI1IVP0.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.72
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.78
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.72
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.75
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.75
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.75
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.72
CAQCATECHOLB2BUY0.72
CAQCATECHOLA1KND0.72
CAQCATECHOLB2BUQ0.72
CAQCATECHOLA,B1DLT0.72
CAQCATECHOLA1XEP0.72
CAQCATECHOLA2PUM0.72
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.76
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.77
8CM8-HYDROXYCOUMARINA2H8Z0.73
TCLTRICLOSANA,B,C,D2PD30.74
TCLTRICLOSANA,B1P450.74
TCLTRICLOSANA,B,C,D,E,F2B350.74
TCLTRICLOSANA,B1D8A0.74
TCLTRICLOSANA,B1C140.74
TCLTRICLOSANA,B,C,D2QIO0.74
TCLTRICLOSANA,B1NHG0.74
TCLTRICLOSANA1D7O0.74
TCLTRICLOSANA,B,C,D2O2Y0.74
TCLTRICLOSANA,B1UH50.74
TCLTRICLOSANA,B2O2S0.74
TCLTRICLOSANA,B,C,D1QG60.74
TCLTRICLOSANA,B,C,D,E,F,
G,H
1QSG0.74
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.7