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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03837608

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
MTBA,B1SRF0.7
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.71
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.74
YOM2,2'-[1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-
)-N,N',O,O']-IRON
A,B1WZG0.73
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.77
2TY2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-
L-TYROSINE
A,B2CWV0.72
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.72
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
AEJ(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-
A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-
1,2,3,4-TETRAHYDROISOQUINOLIN-6-
OL
A,B,C,D1XQC0.7
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.7
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.9
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.9
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.9
2AC2-AMINO-P-CRESOLH,I1A2C0.74
2AC2-AMINO-P-CRESOLA1L4M0.74
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.7
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.7
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.7
TIL[2-[5-CARBOXYETHYL-2-PHENOLATO(NITRILOMETHYLIDYNE)][PHENOLATO]]CHROMIUM(III)A,B2Z680.73
YOK[[2,2'-[4-CARBOXYETHYL-1,2-PHENYLENEBIS(NITRILOMETHYLIDYNE)]BIS[PHENOLATO]](2-
)-N,N',O,O']-IRON
A,B1WZD0.71
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75