Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00403483
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
DI3 | AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO- GLYCINE-OH | H | 1LHE | 0.74 | |
MIN | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.74 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.7 | |
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,B | 1X70 | 0.82 | |
32U | D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}- L-prolinamide | H,I | 2ZDA | 0.72 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.7 | |
S14 | 6-(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,B | 2FJP | 0.78 | |
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,S | 2QOE | 0.82 | |
JNH | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.71 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.71 | |
D7P | D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]- D-ORNITHINAMIDE | A,B | 1RS7 | 0.71 | |
D7P | D-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]- D-ORNITHINAMIDE | A,B | 1RS9 | 0.71 | |
0G6 | D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}- 1-(chloroacetyl)butyl]-L-prolinamide | B,H,L | 3DD2 | 0.72 | |
0G6 | D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}- 1-(chloroacetyl)butyl]-L-prolinamide | B,D,F,H | 1XMN | 0.72 | |
33U | beta-phenyl-D-phenylalanyl-N-(4- carbamimidoylbenzyl)-L-prolinamide | H,I | 2ZO3 | 0.71 | |
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,B | 2P8S | 0.76 | |
50U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclohexylpropanoyl)pyrrolidine- 2-carboxamide | A | 2ZDK | 0.74 | |
50U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclohexylpropanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZG0 | 0.74 | |
DI4 | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.71 | |
0Z6 | D-phenylalanyl-N-[(1S)-4-{[amino(iminio)methyl]amino}- 1-(chloroacetyl)butyl]-L-phenylalaninamide | H,L | 3ELA | 0.7 | |
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 | B | 2I78 | 0.8 | |
IH2 | 2-(2,2-DIPHENYL-ETHYL)-7-METHYL- 1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H- [1,2,4]TRIAZOLO [1,2-A]PYRIDAZINE- 5-CARBOXYLIC ACID(4-CARBAMIMIDOYL- CYCLOHEXYLMETHYL)-AMIDE | 2,3 | 1C4V | 0.72 | |
27U | N-(4-carbamimidoylbenzyl)-1-(3- phenylpropanoyl)-L-prolinamide | H,I | 2ZHQ | 0.72 | |
DP7 | AC-(D)PHE-PRO-BOROARG-OH | H | 1LHC | 0.76 | |
49U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclopentylpropanoyl)pyrrolidine- 2-carboxamide | A | 2ZDN | 0.71 | |
49U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclopentylpropanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZHF | 0.71 | |
Y14 | N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin- 3-yl]amino}-1-(cyclohexylmethyl)- 2-oxoethyl]morpholine-4-carboxamide | A,B | 2R9N | 0.71 | |
11U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclohexylamino)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 3BIV | 0.7 | |
DI2 | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.71 |