Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02568497
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 |
THN | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)- METHYL]-5-METHYLENE-5,6-DIHYDRO- 2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | A,B | 1KVL | 0.7 |  |
PN1 | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1W2N | 0.74 | |
| PN1 | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1UNB | 0.74 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.74 | |
| PNN | PENICILLIN G | B | 1FXV | 0.74 | |
| PNN | PENICILLIN G | A | 1UOF | 0.74 | |
| PNN | PENICILLIN G | A | 1UOB | 0.74 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.71 | |
RRT | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.75 | |
TIO | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.76 | |
FBD | N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)- L-glutamic acid | A | 3D7D | 0.73 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.71 | |
| DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.71 | |
| DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.71 | |
| DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.71 | |
X9Q | {(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL- 5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1- YL}ACETIC ACID | A | 2HGD | 0.73 | |
BNN | ACETYL-P-AMIDINOPHENYLALANINE | 2,3,4 | 8KME | 0.73 | |
| BNN | ACETYL-P-AMIDINOPHENYLALANINE | H,I,J | 7KME | 0.73 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.78 | |
| TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.78 | |
CH6 | {(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]- 4-[(4-hydroxyphenyl)methylidene]- 5-oxo-4,5-dihydro-1H-imidazol-1- yl}acetic acid | A | 2H5Q | 0.7 | |
| CH6 | {(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]- 4-[(4-hydroxyphenyl)methylidene]- 5-oxo-4,5-dihydro-1H-imidazol-1- yl}acetic acid | A | 1XQM | 0.7 | |
| CH6 | {(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]- 4-[(4-hydroxyphenyl)methylidene]- 5-oxo-4,5-dihydro-1H-imidazol-1- yl}acetic acid | A,B | 2QLG | 0.7 | |
| CH6 | {(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]- 4-[(4-hydroxyphenyl)methylidene]- 5-oxo-4,5-dihydro-1H-imidazol-1- yl}acetic acid | A | 1XA9 | 0.7 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.71 | |
| ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.71 | |
IBG | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE | A | 1M9B | 0.75 | |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.76 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.76 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.76 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.76 | |
| PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.76 | |
| PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.76 | |
| PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.76 | |
SOX | N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)- 4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~- THIA-1-AZABICYCLO[3.2.0]HEPT-6- YL]-2-PHENYLACETAMIDE | B | 1GM8 | 0.73 | |
| SOX | N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)- 4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~- THIA-1-AZABICYCLO[3.2.0]HEPT-6- YL]-2-PHENYLACETAMIDE | A,B | 1GM9 | 0.73 | |
GBI | S-(3-IODOBENZYL)GLUTATHIONE | A | 2GSQ | 0.75 | |
TIN | A,B | 1N94 | 0.73 | | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.75 | |
PBB | S-(4-BROMOBENZYL)CYSTEINE | A,B,C,D | 1AQV | 0.71 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.77 | |
| GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.77 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.76 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.71 | |
| PG1 | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.71 | |
| PG1 | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.71 | |
R1F | 3-{[(2,2,5,5-TETRAMETHYL-1-OXO- 4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM- 3-YL)METHYL]DISULFANYL}-D-ALANINE | A | 1ZUR | 0.74 | |
TST | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PENTANOIC ACID | A | 1J4I | 0.73 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.72 | |
AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 2RDD | 0.74 | |
| AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A,B,C,D | 1NX9 | 0.74 | |
| AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1H8S | 0.74 | |
| AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 2EX6 | 0.74 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.75 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.78 | |
| BCS | BENZYLCYSTEINE | A | 1EH8 | 0.78 | |
GGC | 1-MENAPHTHYL GLUTATHIONE CONJUGATE | A,B | 3LJR | 0.71 | |
T29 | TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) | H | 1A3B | 0.71 | |