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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02175869

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1744-CHLORO-BENZOIC ACIDX3DLP0.72
1744-CHLORO-BENZOIC ACIDX1T5D0.72
4MA4-METHYLBENZOIC ACIDA,H2HRG0.8
3BZ3-chlorobenzoateX2QVZ0.72
3BZ3-chlorobenzoateX2QVX0.72
26CA,B2F7I0.8
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
4FCA1YSG0.81
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.79
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.71
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.71
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.7
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.71
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.7
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.7
0A9methyl L-phenylalaninateA1AY20.71
0A9methyl L-phenylalaninateI5ER10.71
0A9methyl L-phenylalaninateI,P1HDT0.71
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.72
173BENZOYL-FORMIC ACIDA,B1SZE0.79
3PL3-PHENYLPROPANALE1Y3G0.74