Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01202832
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 |
D25![]() | 3-phenyl-5-(1H-pyrazol-3-yl)isoxazole | A,B,C,D | 2VCQ | 0.7 | ![]() |
CXN![]() | CLOXACILLIN | A,B | 1FCM | 0.7 | ![]() |
4PR![]() | (3S)-1-{[(3,5-DIMETHYLISOXAZOL- 4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN- 3-YL{(1S)-1-[1-HYDROXY-2-OXO-2- {[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE | A | 2BDL | 0.73 | ![]() |
105![]() | N-[5-METHYL-3-O-TOLYL-ISOXAZOLE- 4-CARBOXYLIC ACID AMIDE] BORONIC ACID | A | 1JWZ | 0.72 | ![]() |
105![]() | N-[5-METHYL-3-O-TOLYL-ISOXAZOLE- 4-CARBOXYLIC ACID AMIDE] BORONIC ACID | A,B | 1FSY | 0.72 | ![]() |
105![]() | N-[5-METHYL-3-O-TOLYL-ISOXAZOLE- 4-CARBOXYLIC ACID AMIDE] BORONIC ACID | A | 1NYY | 0.72 | ![]() |
5QC![]() | 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)- 6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN- 1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)- 1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4- C]PYRIDIN-7-ONE | A | 2FZZ | 0.71 | ![]() |
SOY![]() | OXACILLIN-ACYLATED SERINE | A | 2IWD | 0.77 | ![]() |
4DE![]() | 1-(4-METHOXYPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2D | 0.73 | ![]() |
RIE![]() | (3R,5R)-7-[1-(4-fluorophenyl)-4- (1-methylethyl)-3-{methyl[(1R)- 1-phenylethyl]carbamoyl}-1H-pyrazol- 5-yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 2R4F | 0.72 | ![]() |
AG7![]() | 4-{2-(4-FLUORO-BENZYL)-6-METHYL- 5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)- AMINO]-4-OXO-HEPTANOYLAMINO}-5- (2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | A | 1CQQ | 0.77 | ![]() |
3IH![]() | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A | 2HOB | 0.75 | ![]() |
3IH![]() | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A,B | 2AMQ | 0.75 | ![]() |
3IH![]() | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A,B,C,D | 3D23 | 0.75 | ![]() |
3IH![]() | N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL- L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)- 4-OXO-1-{[(3R)-2-OXOPYRROLIDIN- 3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE | A,B | 2Q6F | 0.75 | ![]() |
7DE![]() | 3,5-DIMETHYL-1-(3-NITROPHENYL)- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2J | 0.74 | ![]() |
7DE![]() | 3,5-DIMETHYL-1-(3-NITROPHENYL)- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2K | 0.74 | ![]() |
5DE![]() | 1-(4-AMINOPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2E | 0.71 | ![]() |