Structure of PDB 1kvm Chain B Binding Site BS01 |
|
|
|
| Ligand ID | CEO |
| InChI | InChI=1S/C14H14N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13H,1,5,7H2,(H,15,18)(H,19,20)/t10-,13-/m1/s1 |
| InChIKey | FYGLCWWPHIWVKN-ZWNOBZJWSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C=C1CSC(N=C1C(=O)O)C(C=O)NC(=O)Cc2cccs2 | | CACTVS 3.341 | OC(=O)C1=N[CH](SCC1=C)[CH](NC(=O)Cc2sccc2)C=O | | CACTVS 3.341 | OC(=O)C1=N[C@H](SCC1=C)[C@H](NC(=O)Cc2sccc2)C=O | | OpenEye OEToolkits 1.5.0 | C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2 | | ACDLabs 10.04 | O=CC(NC(=O)Cc1sccc1)C2N=C(\C(=C)CS2)C(=O)O |
|
| Formula | C14 H14 N2 O4 S2 |
| Name | 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID;
HYDROLYZED CEPHALOTHIN |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000024635612
|
| PDB chain | 1kvm Chain B Residue 864
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
