Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00054522
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 |
VS2 | 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL- AMINO]-5-PHENYL-PENTANE-1-SULFONYLMETHYLBENZENE | A | 1F2A | 0.78 |  |
GPS | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 2GST | 0.73 | |
| GPS | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSW | 0.73 | |
| GPS | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSV | 0.73 | |
| GPS | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A | 1B4P | 0.73 | |
| GPS | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSX | 0.73 | |
| GPS | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSU | 0.73 | |
MOX | 7-METHOXY-3-METHYL-7-(3-METHYL- 2-PHENYL-BUT-3-ENOYLAMINO)-8-OXO- 5-OXA-1-AZA-BICYCLO[4.2.0]OCT-2- ENE-2-CARBOXYLIC ACID | A,B | 1I5Q | 0.72 | |
| MOX | 7-METHOXY-3-METHYL-7-(3-METHYL- 2-PHENYL-BUT-3-ENOYLAMINO)-8-OXO- 5-OXA-1-AZA-BICYCLO[4.2.0]OCT-2- ENE-2-CARBOXYLIC ACID | A,B | 1FCO | 0.72 | |
VSC | A | 1EWO | 0.73 | | |
SUB | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PROPIONIC ACID ETHYL ESTER | A | 1J4H | 0.72 | |
C4P | N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]- N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | A | 1NQC | 0.73 | |
ESY | benzyl N-[(benzyloxy)carbonyl]- L-alanyl-N~6~-[(2R,3S,4S)-3-formyl- 2-hydroxy-4-methylhexanoyl]-L-lysinate | K,Y | 3E47 | 0.7 | |
AXL | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)- ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | B | 1LL9 | 0.71 | |
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 | |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.72 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.72 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.72 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.72 | |
| PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.72 | |
| PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.72 | |
| PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.72 | |
186 | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | X | 1U9Q | 0.75 | |
VS1 | 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]- PHENYLALANINYL-AMINO]-5- PHENYL- PENTANE-1-SULFONYLBENZENE | A | 2P86 | 0.7 | |
| VS1 | 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]- PHENYLALANINYL-AMINO]-5- PHENYL- PENTANE-1-SULFONYLBENZENE | A,B,C | 1F29 | 0.7 | |
ZFB | (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}- 2-OXO-4-PHENYLBUTANE-1-DIAZONIUM | A,B,C,D | 1PVJ | 0.7 | |
GSO | L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY- 2-PHENYLETHYL]-L-CYSTEINYLGLYCINE | A,B,C,D | 2C4J | 0.72 | |
CLS | CEPHALOTHIN | A,B | 1KVL | 0.72 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.7 | |
| PNN | PENICILLIN G | B | 1FXV | 0.7 | |
| PNN | PENICILLIN G | A | 1UOF | 0.7 | |
| PNN | PENICILLIN G | A | 1UOB | 0.7 | |
VS4 | 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]- PHENYLALANINYL-AMINO]-5-PHENYL- PENTANE-1-SULFONIC ACID BENZYLOXY- AMIDE | A | 1F2C | 0.7 | |
TI2 | (2-SULFANYL-3-PHENYLPROPANOYL)- PHE-TYR | A | 1QF0 | 0.72 | |
NFN | 6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLATE | A | 1T9W | 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 | 0.72 | |
G26 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID (HYDROXYMETHYL- 2-PHENYLETHYL)AMIDE | A,B | 1HTF | 0.7 | |
LOR | LORACABEF | A,B | 1FCN | 0.71 | |
AG6 | N-[(benzyloxy)carbonyl]-L-alpha- glutamyl-N-[(1S)-4-oxo-4-phenyl- 1-propylbut-2-en-1-yl]-L-phenylalaninamide | A | 3FRZ | 0.7 | |
3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A,B | 2P3C | 0.7 | |
| 3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A | 2P3D | 0.7 | |
| 3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A,B | 2P3B | 0.7 | |
| 3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A,B | 2P3A | 0.7 | |
1BH | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO- 4-PHENYL-BUTAN-2-OL | A | 1BH6 | 0.71 | |
T10 | [1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | A | 1ME4 | 0.72 | |
739 | 2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO- 3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE | A,B | 1JCQ | 0.7 | |
SB3 | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.71 | |
WR1 | NALPHA-[(BENZYLOXY)CARBONYL]-N- [(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]- L-PHENYLALANINAMIDE | A,B | 2OP9 | 0.7 | |
GPR | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 1MTC | 0.73 | |
| GPR | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 5FWG | 0.73 | |
| GPR | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 2PGT | 0.73 | |
| GPR | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 3FYG | 0.73 | |
| GPR | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 3GST | 0.73 | |