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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00129903

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDK0.71
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZG00.71
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.71
S146-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-
3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-
3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-
A]PYRIDIN-4-IUM
A,B2FJP0.74
CL3N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3-
B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE
A1Y2G0.72
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.73
417(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-
5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-
A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE
A,B2P8S0.72
KIQ(1S,6R)-3-{[3-(TRIFLUOROMETHYL)-
5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-
A]PYRAZIN-7(8H)-YL]CARBONYL}-6-
(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-
3-EN-1-AMINE
B2I780.75
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.72
VX2N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-
b]pyridazin-6-amine
A3BGQ0.73
715(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-
5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-
A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B1X700.75
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.71
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.7
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.7
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.72
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.72
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHE0.71
448(2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-
5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-
A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-
TRIFLUOROPHENYL)BUTAN-2-AMINE
A,B,S2QOE0.77
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.73
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDN0.71
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZHF0.71