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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02543014

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.75
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.73
BZFBENZOFURANA182L0.71
VXXVANILLATEA,B1WB60.72
ANN4-METHOXYBENZOIC ACIDA2B960.74
ANN4-METHOXYBENZOIC ACIDA2QUE0.74
ANN4-METHOXYBENZOIC ACIDA1SV30.74
ANN4-METHOXYBENZOIC ACIDA1O2E0.74
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.74
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.72
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.8
AI73-(heptyloxy)benzoic acidA,B2O3Z0.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.71
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.75
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.8
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID
A,B,C,D,E,F,
G,H,I,J,K,L
2BT40.72
FU2FURFURALA,B,C,D1QXD0.78
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.75
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
8MOMETHOXSALENA,B,C,D1Z110.74
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.76
FOA2-FUROIC ACIDA,B2GF30.81
FOA2-FUROIC ACIDA,B,D2GAG0.81
FOA2-FUROIC ACIDA,B,C,D2GAH0.81