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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02805173

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.79
1666-CARBAMIMIDOYL-2-[2-HYDROXY-6-
(4-HYDROXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID
B,I1QJ10.74
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.74
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.74
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.75
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.75
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.76
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.77
2MP3,4-DIMETHYLPHENOLA1L5O0.73
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.74
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.74
ANFANTHRONEH2BJM0.71
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.71
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.71
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.71
1NP1-NAPHTHOLX2ZVQ0.73
2AC2-AMINO-P-CRESOLH,I1A2C0.7
2AC2-AMINO-P-CRESOLA1L4M0.7
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.74
AEF4-(2-aminoethyl)phenolA3BRA0.78
2LP2-ALLYLPHENOLA1OV50.72
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.83
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.77