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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01210066

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.78
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.77
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.83
419N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-
3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-
6-yl]-2,2-diphenylacetamide
A,B3F7H0.7
33Ubeta-phenyl-D-phenylalanyl-N-(4-
carbamimidoylbenzyl)-L-prolinamide
H,I2ZO30.7
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHE0.74
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.76
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.76
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.74
315(2S,3S)-4-cyclopropyl-3-{(3R,5R)-
3-[2-fluoro-4-(methylsulfonyl)phenyl]-
1,2,4-oxadiazolidin-5-yl}-1-[(3S)-
3-fluoropyrrolidin-1-yl]-1-oxobutan-
2-amine
A,B3C430.71
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZHD0.75
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHW0.75
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZFS0.75
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.76
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.73
352(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-
5-(1-hydroxy-1-methylethyl)-5-methyl-
1,3-thiazol-4(5H)-one
A,B,C,D3EY40.72
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.77
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.73
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.71
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.78
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.78
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.74
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.78