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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005268

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3PL3-PHENYLPROPANALE1Y3G0.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.7
4FCA1YSG0.82
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.72
26CA,B2F7I0.81
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.78
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.76
5PV5-PHENYLVALERIC ACIDA,B2AY90.84
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.73
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.77
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.74
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.74
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.73
4MA4-METHYLBENZOIC ACIDA,H2HRG0.74
7912-PHENYLMALONIC ACIDA1O4P0.83
1LPTRANYLCYPROMINEA,B1OJB0.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.73
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.74