Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00279502
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 |
EAL | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)- L-PROLINE | A | 1UZE | 0.71 | |
SM4 | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)- 1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | A,B | 2RCX | 0.71 | |
CFX | CEFOXITIN | A,B | 1YMX | 0.76 | |
CFX | CEFOXITIN | A,B | 1I2W | 0.76 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.8 | |
GSO | L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY- 2-PHENYLETHYL]-L-CYSTEINYLGLYCINE | A,B,C,D | 2C4J | 0.74 | |
HPI | N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL- ALPHA-ASPARAGINE | A | 1U4G | 0.72 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.7 | |
CEP | CEPHALOTHIN GROUP | A | 1CEG | 0.75 | |
CEP | CEPHALOTHIN GROUP | A | 1IYP | 0.75 | |
C4P | N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]- N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | A | 1NQC | 0.73 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.76 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.76 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.77 | |
PG1 | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.77 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.77 | |
KCP | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)- METHYL]-5-METHYL-3,6-DIHYDRO-2H- [1,3]THIAZINE-4-CARBOXYLIC ACID | A,B | 1KVL | 0.77 | |
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 | 0.83 | |
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 | 0.83 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.84 | |
PNN | PENICILLIN G | B | 1FXV | 0.84 | |
PNN | PENICILLIN G | A | 1UOF | 0.84 | |
PNN | PENICILLIN G | A | 1UOB | 0.84 | |
GGC | 1-MENAPHTHYL GLUTATHIONE CONJUGATE | A,B | 3LJR | 0.73 | |
SUB | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PROPIONIC ACID ETHYL ESTER | A | 1J4H | 0.7 | |
T29 | TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) | H | 1A3B | 0.73 | |
TI3 | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.72 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A,B | 1J36 | 0.71 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A,B | 2C6N | 0.71 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A | 1O86 | 0.71 | |
002 | N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)- 4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE | A,B | 2FV9 | 0.71 | |
CED | 5-METHYL-2-[2-OXO-1-(2-THIOPHEN- 2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO- 2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | A | 1GHM | 0.76 | |
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 | 0.83 | |
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 | 0.83 | |
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 | 0.83 | |
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 | 0.83 | |
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 | |
MEL | [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}- 1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | H,I | 1K22 | 0.72 | |
MEL | [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}- 1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | A | 1K1P | 0.72 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.7 | |
LOR | LORACABEF | A,B | 1FCN | 0.87 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.79 | |
IBG | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE | A | 1M9B | 0.75 | |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.81 | |
PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.81 | |
PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.81 | |
PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.81 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.81 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.81 | |
PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.81 | |
GBI | S-(3-IODOBENZYL)GLUTATHIONE | A | 2GSQ | 0.75 | |
TIO | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.73 | |
TIN | A,B | 1N94 | 0.73 | ||
AXL | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)- ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | B | 1LL9 | 0.72 | |
FRF | PHE-REDUCED-PHE | A,I | 1GVX | 0.71 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.8 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.8 | |
G26 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID (HYDROXYMETHYL- 2-PHENYLETHYL)AMIDE | A,B | 1HTF | 0.72 | |
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 | 0.83 | |
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 | 0.83 | |
PME | N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1- METHYL ESTER | H,L | 1A8J | 0.7 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.7 | |
TST | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PENTANOIC ACID | A | 1J4I | 0.72 | |
CEH | 5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY- BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY- ETHYLCARBAMOYL)-ETHYLCARBAMOYL]- PROPYL}-2-(CARBOXY-PHENYLACETYLAMINO- METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE- 4-CARBOXYLIC ACID | A | 1HVB | 0.85 | |
TI2 | (2-SULFANYL-3-PHENYLPROPANOYL)- PHE-TYR | A | 1QF0 | 0.71 | |
CLS | CEPHALOTHIN | A,B | 1KVL | 0.81 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.7 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.7 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.7 |