Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00347244
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 |
5AM![]() | BENZYL {(1S)-5-AMINO-1-[(S)-HYDROXY(5- {[4-(4-PHENYLBUTANOYL)PIPERAZIN- 1-YL]METHYL}-1,2,4-OXADIAZOL-3- YL)METHYL]PENTYL}CARBAMATE | A,B,C,D | 2GDD | 0.72 | ![]() |
C3A![]() | ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO- 1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}- 1,2,4-OXADIAZOL-3-YL)CARBONYL]- 3-PYRROLIDIN-3-YLPROPYL}CARBAMATE | A,B,C,D | 2FS8 | 0.72 | ![]() |
C3A![]() | ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO- 1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}- 1,2,4-OXADIAZOL-3-YL)CARBONYL]- 3-PYRROLIDIN-3-YLPROPYL}CARBAMATE | A,B,C,D | 2FXR | 0.72 | ![]() |
31U![]() | D-leucyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZNK | 0.72 | ![]() |
24U![]() | 1-butanoyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZI2 | 0.71 | ![]() |
49U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclopentylpropanoyl)pyrrolidine- 2-carboxamide | A | 2ZDN | 0.72 | ![]() |
49U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclopentylpropanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZHF | 0.72 | ![]() |
MEL![]() | [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}- 1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | H,I | 1K22 | 0.7 | ![]() |
MEL![]() | [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}- 1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | A | 1K1P | 0.7 | ![]() |
29U![]() | 1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZGX | 0.71 | ![]() |
33U![]() | beta-phenyl-D-phenylalanyl-N-(4- carbamimidoylbenzyl)-L-prolinamide | H,I | 2ZO3 | 0.73 | ![]() |
32U![]() | D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}- L-prolinamide | H,I | 2ZDA | 0.73 | ![]() |
27U![]() | N-(4-carbamimidoylbenzyl)-1-(3- phenylpropanoyl)-L-prolinamide | H,I | 2ZHQ | 0.73 | ![]() |
FA4![]() | SM-25453 | A,B | 2D1O | 0.72 | ![]() |
FA4![]() | SM-25453 | A,B | 2D1N | 0.72 | ![]() |
26U![]() | N-(4-carbamimidoylbenzyl)-1-(4- methylpentanoyl)-L-prolinamide | H,I | 2ZIQ | 0.72 | ![]() |
C4A![]() | ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3- DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}- 1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE | A,B,C,D | 2FS9 | 0.74 | ![]() |
11U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclohexylamino)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 3BIV | 0.72 | ![]() |
3TP![]() | (2S,3S)-3-{3-[4-(METHYLSULFONYL)PHENYL]- 1,2,4-OXADIAZOL-5-YL}-1-OXO-1-PYRROLIDIN- 1-YLBUTAN-2-AMINE | A,B | 2HHA | 0.74 | ![]() |
MIM![]() | [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL- 1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]- SERYL]-LYSINYL]-AMINE | A | 2NMT | 0.71 | ![]() |
MIM![]() | [CYCLOHEXYLETHYL]-[[[[4-[2-METHYL- 1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]- SERYL]-LYSINYL]-AMINE | A,B | 1IYK | 0.71 | ![]() |
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 | ![]() |
51U![]() | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.72 | ![]() |