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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02826509

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.72
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.78
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.77
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.73
EYK2-tert-butylbenzene-1,4-diolB3EYK0.73
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.76
ETY4-ethylphenolA,B,C,D2RA60.76
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.74
2CH2-CHLOROPHENOLA1WBO0.72
CRSM-CRESOLA,B,C,D1EV30.73
CRSM-CRESOLA,B,C,D,E,F2OMG0.73
CRSM-CRESOLA,B1UZ90.73
CRSM-CRESOLA,B,C,D1ZEH0.73
CRSM-CRESOLA,B,C,D,E,F1ZEI0.73
CRSM-CRESOLA,C,D,E7INS0.73
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.73
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.81
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.81
SS2(1R)-1-PHENYLETHANOLA1ZJY0.81
341(3,5-difluorophenyl)methanolC3EON0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.77
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
2LP2-ALLYLPHENOLA1OV50.76
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,D1Y0G0.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.77
3BZ3-chlorobenzoateX2QVZ0.74
3BZ3-chlorobenzoateX2QVX0.74
1744-CHLORO-BENZOIC ACIDX3DLP0.75
1744-CHLORO-BENZOIC ACIDX1T5D0.75
12M(2-ETHYLPHENYL)METHANOLA,B2F620.81
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.73
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.73
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.74
PEL2-PHENYL-ETHANOLA,B1I0D0.74
PEL2-PHENYL-ETHANOLD,H2I0T0.74
PEL2-PHENYL-ETHANOLA,B1HZY0.74
PEL2-PHENYL-ETHANOLA,B1I0B0.74
PEL2-PHENYL-ETHANOLA1EYW0.74
PEL2-PHENYL-ETHANOLA,B1JGM0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.84
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.73
SS11-PHENYLETHANOLH1UM50.81
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.76
MNN(S)-MANDELIC ACID NITRILEA1YB60.74
34Z3,4-dichlorobenzoateX2QVY0.72
34Z3,4-dichlorobenzoateX2QW00.72
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
3CH3-CHLOROPHENOLA1LI30.73
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
RSOR-STYRENE OXIDEA,B1PWZ0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.76
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.76
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.77
43M4-CHLORO-3-METHYLPHENOLA2P7A0.79