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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02520567

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KCQ(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-
2-ONE
A,I2Z3E0.71
BPR(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-
1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-
5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-
2-YL]-L-PROLINAMIDE
A,B,C,D2AJD0.85
OHM3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-
YL]DODECANAMIDE
B,H2NTF0.71
CGN5-OXO-PYRROLIDINE-2-CARBALDEHYDEA3CAR0.74
CGN5-OXO-PYRROLIDINE-2-CARBALDEHYDEA1I3U0.74
CGN5-OXO-PYRROLIDINE-2-CARBALDEHYDEA3CAO0.74
GIOCYCLO-(GLYCINE-L-PROLINE) INHIBITORA,B1W1P0.77
ALJCYCLO-(L-ARGININE-L-PROLINE) INHIBITORA,B1W1V0.73
A3M2-AMINO-3-METHYL-1-PYRROLIDIN-1-
YL-BUTAN-1-ONE
A,B1N1M0.74
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2EEP0.8
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2Z3Z0.8
LPDL-PROLINAMIDEH,S2H9E0.78
AIA(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-
2-OXOETHANAMINE
A2GBF0.71
1AD(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-
5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-
1-CYCLOPENTYL-2-OXOETHANAMINE
A2GBG0.71