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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02180902

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D1XQC0.74
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
REN(S)-reticulineA3FWA0.78
REN(S)-reticulineA3D2D0.78
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.81
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.81
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.76
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.78
AEF4-(2-aminoethyl)phenolA3BRA0.71
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
ANFANTHRONEH2BJM0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
2MP3,4-DIMETHYLPHENOLA1L5O0.71
GNT(-)-GALANTHAMINEA1DX60.71
GNT(-)-GALANTHAMINEA1QTI0.71
GNT(-)-GALANTHAMINEA,B,C,D,E2PH90.71
GNT(-)-GALANTHAMINEA,B1W760.71
GNT(-)-GALANTHAMINEA1W6R0.71
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.7
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.76
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.77
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.85
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
1NP1-NAPHTHOLX2ZVQ0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72