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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03806153

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.76
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDN0.74
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZHF0.74
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.74
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.73
33Ubeta-phenyl-D-phenylalanyl-N-(4-
carbamimidoylbenzyl)-L-prolinamide
H,I2ZO30.7
3AB3-aminobenzamideA,B,C,D3GOY0.7
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.74
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.73
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZHD0.73
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHW0.73
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZFS0.73
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHE0.72
0Z6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-phenylalaninamide
H,L3ELA0.73
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.74
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.73
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.73
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.73
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.74
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.72
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.74
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.73
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDK0.73
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZG00.73
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide
B,H,L3DD20.73
0G6D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}-
1-(chloroacetyl)butyl]-L-prolinamide
B,D,F,H1XMN0.73