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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02231306

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A3H7K0.77
AGTS-{(S)-AMINO[(4-AMINOBUTYL)AMINO]METHYL}-
L-CYSTEINE
A,B,C,D,E,F,
G,H
2JER0.77
PECS,S-PENTYLTHIOCYSTEINEA5NUC0.7
CYRN~5~-[{[(2R)-2-AMINO-2-CARBOXYETHYL]SULFANYL}(IMINIO)METHYL]-
L-ORNITHINATE
A,B,C,D2AAF0.72
CYRN~5~-[{[(2R)-2-AMINO-2-CARBOXYETHYL]SULFANYL}(IMINIO)METHYL]-
L-ORNITHINATE
A,B,C,D2ABR0.72
DIR3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINEA,B,C1T4T0.71
NCYN-METHYLCYSTEINEA,C,E,G2ADW0.73
NCYN-METHYLCYSTEINEA1VS20.73
NCYN-METHYLCYSTEINEA1PFE0.73
NCYN-METHYLCYSTEINEA,B2DA80.73
NCYN-METHYLCYSTEINEC,D193D0.73
NCYN-METHYLCYSTEINEA1XVN0.73
NCYN-METHYLCYSTEINEA,B185D0.73
NCYN-METHYLCYSTEINEA1XVK0.73
NCYN-METHYLCYSTEINEA,C1XVR0.73
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.71
N2CN,S-DIMETHYLCYSTEINEA1XVK0.71
N2CN,S-DIMETHYLCYSTEINEA,C1XVR0.71
N2CN,S-DIMETHYLCYSTEINEA,B3GO30.71
GEM(2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACIDA,B,C3D670.72
GEM(2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACIDA1H8L0.72
CMAN2-(CARBOXYETHYL)-L-ARGININEA,B1JGT0.72
NNHNOR-N-OMEGA-HYDROXY-L-ARGININEA,B,C1HQH0.7