Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01207818
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 |
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 | |
PY3 | 5-[AMINO(IMINO)METHYL]-2-[({[6- [3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]- 3-(ISOPROPYLAMINO)-2-OXOPYRAZIN- 1(2H)-YL]ACETYL}AMINO)METHYL]-N- PYRIDIN-4-YLBENZAMIDE | H,L | 1Z6J | 0.71 | |
PB4 | N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUD | 0.72 | |
78P | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.7 | |
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.72 | |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.7 | |
BTO | 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL- 5-YL]BUTANOIC ACID | A | 2IKG | 0.72 | |
FXG | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 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 | |
PB3 | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUC | 0.73 | |
RA4 | N-(4-NITROBENZOYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE | H,I | 1YPM | 0.78 | |
IFC | N-[2-methyl-5-({[3-(4-methyl-1H- imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole- 5-carboxamide | A | 3DZQ | 0.71 | |
C92 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.71 |