Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00396391
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 |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.8 |  |
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 | 0.79 | |
| 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 | 0.79 | |
| 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 | 0.79 | |
| 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 | 0.79 | |
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 | 0.79 | |
| 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 | 0.79 | |
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 | 0.78 | |
| 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 | 0.78 | |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.77 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.77 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.77 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.77 | |
| PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.77 | |
| PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.77 | |
| PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.77 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.76 | |
| PNN | PENICILLIN G | B | 1FXV | 0.76 | |
| PNN | PENICILLIN G | A | 1UOF | 0.76 | |
| PNN | PENICILLIN G | A | 1UOB | 0.76 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.74 | |
| TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.74 | |
TI3 | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.74 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.73 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.73 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.72 | |
| PG1 | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.72 | |
| PG1 | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.72 | |
TP4 | N-[4-[[GLUTAMIC ACID]-CARBONYL]- BENZENE-SULFONYL-D-PROLINYL]-3- AMINO-PROPANOIC ACID | A,B | 1F4G | 0.72 | |
T29 | TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) | H | 1A3B | 0.72 | |
TP3 | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE- SULFONYL-D-PROLINE | A,B | 1F4F | 0.72 | |
TIN | A,B | 1N94 | 0.72 | | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.71 | |
G26 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID (HYDROXYMETHYL- 2-PHENYLETHYL)AMIDE | A,B | 1HTF | 0.71 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.71 | |
| GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.71 | |
ZED | L-PROLINE, 1-[(2S)-3-MERCAPTO-2- METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)- , 4S | A | 2EWB | 0.71 | |
BSA | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.71 | |
GF7 | (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A | 3GQZ | 0.71 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1O0D | 0.71 | |
| SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FES | 0.71 | |
| SMF | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2ANK | 0.71 | |
| SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FEQ | 0.71 | |
| SMF | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2A2X | 0.71 | |
| SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1NZQ | 0.71 | |
IZD | ISOTHIAZOLIDINONE ANALOG | A | 2CM7 | 0.71 | |
MX3 | (1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID | I | 2C2O | 0.71 | |
TPR | TOSYL-D-PROLINE | A | 1F4E | 0.71 | |
HU2 | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2- ISOPROPYL-7-METHYLOCT-4-ENOYL]- L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID | A,C | 2OC1 | 0.71 | |
160 | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE- 2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID | A,B | 1NMQ | 0.71 | |
BM5 | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 3-CARBOXYLIC ACID METHYL ESTER | A | 1C0U | 0.7 | |
OAP | 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID | A,B,C,D,E,F | 1KVO | 0.7 | |
CRJ | N-(1-CYANOCYCLOPROPYL)-3-({[(2S)- 5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)- N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4- FLUOROPHENYL)ETHYL]-L-ALANINAMIDE | A,B | 2FQ9 | 0.7 | |
EAL | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)- L-PROLINE | A | 1UZE | 0.7 | |
072 | (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)- 2-HEPTYL-4-OXO-5-THIAZOLIDINE | A,B,C,D | 4PRG | 0.7 | |
3CY | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA- ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7- HEXAHYDROAZEPINO[3,2,1-HI]INDOL- 2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)- 4-OXOPENTANOIC ACID | A | 1RHU | 0.7 | |
TIO | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.7 | |
739 | 2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO- 3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE | A,B | 1JCQ | 0.7 | |