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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02641324

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D2AJD0.84
RIN3-AMINO-AZACYCLOTRIDECAN-2-ONEA,B1KBC0.71
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2EEP0.84
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2Z3Z0.84
LPDL-PROLINAMIDEH,S2H9E0.79
1AD(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-
5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-
1-CYCLOPENTYL-2-OXOETHANAMINE
A2GBG0.7
ALJCYCLO-(L-ARGININE-L-PROLINE) INHIBITORA,B1W1V0.74
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDB0.73
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDA0.73
GIOCYCLO-(GLYCINE-L-PROLINE) INHIBITORA,B1W1P0.78
CGN5-OXO-PYRROLIDINE-2-CARBALDEHYDEA3CAR0.75
CGN5-OXO-PYRROLIDINE-2-CARBALDEHYDEA1I3U0.75
CGN5-OXO-PYRROLIDINE-2-CARBALDEHYDEA3CAO0.75
OHM3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-
YL]DODECANAMIDE
B,H2NTF0.75
ZRGN~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithinamide
A,B3CHC0.71
KCQ(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-
2-ONE
A,I2Z3E0.75
A3M2-AMINO-3-METHYL-1-PYRROLIDIN-1-
YL-BUTAN-1-ONE
A,B1N1M0.78