Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00030305
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 |
CLS | CEPHALOTHIN | A,B | 1KVL | 0.74 |  |
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 | |
894 | 2-(5-CHLORO-2-THIENYL)-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-OXOETHYL]-2-OXOPYRROLIDIN- 3-YL}ETHANESULFONAMIDE | A | 2UWP | 0.71 | |
| 894 | 2-(5-CHLORO-2-THIENYL)-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-OXOETHYL]-2-OXOPYRROLIDIN- 3-YL}ETHANESULFONAMIDE | D,H | 2JH6 | 0.71 | |
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 | |
3SP | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN- 2-YL}METHYL)-L-PROLINAMIDE | D,H | 2FES | 0.73 | |
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 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.71 | |
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 | 0.7 | |
| 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 | 1UNB | 0.7 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1PI4 | 0.71 | |
| SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 2FFY | 0.71 | |
| SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1MY8 | 0.71 | |
CEP | CEPHALOTHIN GROUP | A | 1CEG | 0.77 | |
| CEP | CEPHALOTHIN GROUP | A | 1IYP | 0.77 | |
CTB | N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID | A,B | 1FSW | 0.72 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.72 | |
| PNN | PENICILLIN G | B | 1FXV | 0.72 | |
| PNN | PENICILLIN G | A | 1UOF | 0.72 | |
| PNN | PENICILLIN G | A | 1UOB | 0.72 | |
CEO | 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN- 2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO- 2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | A,B | 1KVM | 0.76 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.7 | |
| GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.7 | |
NCF | (2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}- 5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID | A,B,C,D | 1W8Y | 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 | |
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 | 0.7 | |
| 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 | 0.7 | |
| 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 | 0.7 | |
| 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 | 0.7 | |
701 | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-OXOETHYL]-2-OXOPYRROLIDIN- 3-YL}PROPENE-1-SULFONAMIDE | D,H | 2JH0 | 0.72 | |
| 701 | (2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-OXOETHYL]-2-OXOPYRROLIDIN- 3-YL}PROPENE-1-SULFONAMIDE | A | 2UWO | 0.72 | |
895 | 2-(5-CHLORO-2-THIENYL)-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-OXOETHYL]-2-OXOPYRROLIDIN- 3-YL}ETHENESULFONAMIDE | D,H | 2JH5 | 0.71 | |
| 895 | 2-(5-CHLORO-2-THIENYL)-N-{(3S)- 1-[(1S)-1-METHYL-2-MORPHOLIN-4- YL-2-OXOETHYL]-2-OXOPYRROLIDIN- 3-YL}ETHENESULFONAMIDE | A | 2UWL | 0.71 | |
BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1JK3 | 0.78 | |
| BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1MMB | 0.78 | |
| BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 2RJQ | 0.78 | |
| BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A | 1RM8 | 0.78 | |
| BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A,B | 2J83 | 0.78 | |
| BAT | 4-(N-HYDROXYAMINO)-2R-ISOBUTYL- 2S-(2-THIENYLTHIOMETHYL)SUCCINYL- L-PHENYLALANINE-N-METHYLAMIDE | A,B | 1DTH | 0.78 | |