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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03154869

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.76
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.7
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.71
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.7
271N-methyl-1-phenylmethanamineX2RBT0.87
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.77
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.8
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.75
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.7
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.7
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.71
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.82
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.7
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.72
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.7