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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03132532

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
ETY4-ethylphenolA,B,C,D2RA60.71
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.73
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.7
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.72
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.72
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.72
2CH2-CHLOROPHENOLA1WBO0.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
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,D1Y0G0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.7
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.7
2LP2-ALLYLPHENOLA1OV50.74
AEF4-(2-aminoethyl)phenolA3BRA0.73
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.71
43M4-CHLORO-3-METHYLPHENOLA2P7A0.81
3CH3-CHLOROPHENOLA1LI30.75
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71