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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03805107

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.7
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.7
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.74
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.72
0A9methyl L-phenylalaninateA1AY20.74
0A9methyl L-phenylalaninateI5ER10.74
0A9methyl L-phenylalaninateI,P1HDT0.74
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.71
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.78
1LPTRANYLCYPROMINEA,B1OJB0.79
5PV5-PHENYLVALERIC ACIDA,B2AY90.91
4MA4-METHYLBENZOIC ACIDA,H2HRG0.76
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.73
4HP4-HYDROXYPHENYLACETATEA2YYJ0.73
4HP4-HYDROXYPHENYLACETATEA2YYM0.73
4HP4-HYDROXYPHENYLACETATEB1AI60.73
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.73
4PH4-methyl-L-phenylalanineB,C3BV90.74
173BENZOYL-FORMIC ACIDA,B1SZE0.77
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.74
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.74
3PL3-PHENYLPROPANALE1Y3G0.78
26CA,B2F7I0.74
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.75
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.77
4FCA1YSG0.75