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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02449407

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BAD(1S)-2-amino-1-phenylethyl 6-O-
beta-L-glucopyranosyl-alpha-D-mannopyranoside
A2QJE0.87
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.77
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.71
S06(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-
8,9,10-triol
A2QRP0.74
TB1(3S)-3-(BENZYLOXY)-L-ASPARTIC ACIDA,B,C2NWW0.7
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.77
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.7
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.72
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.7
PH52-PHENYL-PROP5ACA,B2BVE0.72
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.73
DM5IDARUBICINA,B,D198D0.72
DM5IDARUBICINA1D380.72
DM5IDARUBICINA1D670.72
44D7-[5-(4-AMINO-5-HYDROXY-6-METHYL-
TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-
6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-
6,9,11-TRIHYDROXY-9-(2-HYDROXY-
ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-
5,12-DIONE
A,B1NAB0.7
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.7
DM36-DEOXYDAUNOMYCINA1D140.7
S13(3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-
3-(4-methylphenyl)-1,6-dioxa-2-
azaspiro[4.5]decane-8,9,10-triol
A2QRQ0.72