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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004183

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.73
B3I2,3,5-TRIIODOBENZOIC ACIDA1BKE0.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.85
4MA4-METHYLBENZOIC ACIDA,H2HRG0.76
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.76
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.76
4FCA1YSG0.77
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.72
1LPTRANYLCYPROMINEA,B1OJB0.72
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.72
3PL3-PHENYLPROPANALE1Y3G0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
7912-PHENYLMALONIC ACIDA1O4P0.81
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.77
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.77
26CA,B2F7I0.78
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.73
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.76
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.76
173BENZOYL-FORMIC ACIDA,B1SZE0.79