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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00095794

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.77
0E4N-acetyl-L-tyrosyl-L-valyl-L-alanyl-
L-aspartic acid
B,D3GJS0.76
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.75
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.75
3XH3-Hydroxyhippuric acidA3E9K0.75
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.75
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.75
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.73
AEF4-(2-aminoethyl)phenolA3BRA0.73
843N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE
A1O420.73
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.72
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.72
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE
A2F380.72
1C5[[O-PHOSPHONO-N-ACETYL-TYROSINYL]-
GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-
AMINE
A1BKM0.72
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.71
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.71
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.71
1615-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
A,B1NMS0.7