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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00456630

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BE8A,C3EYD0.7
ZRGN~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithinamide
A,B3CHC0.72
HU5(1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-
2,3-DIOXOPROPYL]-3-[(2S)-2-{[(TERT-
BUTYLAMINO)CARBONYL]AMINO}-3,3-
DIMETHYLBUTANOYL]-6,6-DIMETHYL-
3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE
A,C2OC80.74
A3M2-AMINO-3-METHYL-1-PYRROLIDIN-1-
YL-BUTAN-1-ONE
A,B1N1M0.71
TLXN1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-
PYRROLO[1,2-A] PYRIMIDINE
A,B,C,D,F,Q1EFR0.72
ALJCYCLO-(L-ARGININE-L-PROLINE) INHIBITORA,B1W1V0.82
GIOCYCLO-(GLYCINE-L-PROLINE) INHIBITORA,B1W1P0.81
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2EEP0.76
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2Z3Z0.76
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,D2AJD0.71