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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005547

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4MA4-METHYLBENZOIC ACIDA,H2HRG0.8
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.71
3PL3-PHENYLPROPANALE1Y3G0.76
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.77
4HP4-HYDROXYPHENYLACETATEA2YYJ0.77
4HP4-HYDROXYPHENYLACETATEA2YYM0.77
4HP4-HYDROXYPHENYLACETATEB1AI60.77
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.77
3BZ3-chlorobenzoateX2QVZ0.7
3BZ3-chlorobenzoateX2QVX0.7
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.82
1744-CHLORO-BENZOIC ACIDX3DLP0.7
1744-CHLORO-BENZOIC ACIDX1T5D0.7
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.74
26CA,B2F7I0.76
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.79
4PH4-methyl-L-phenylalanineB,C3BV90.73
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.78
4FCA1YSG0.77
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.71
1LPTRANYLCYPROMINEA,B1OJB0.75
173BENZOYL-FORMIC ACIDA,B1SZE0.81
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.75
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.78
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.78