Structure of PDB 1kvl Chain A Binding Site BS01 |
|
|
|
| Ligand ID | KCP |
| InChI | InChI=1S/C14H16N2O5S2/c1-7-6-23-12(16-10(7)13(18)19)11(14(20)21)15-9(17)5-8-3-2-4-22-8/h2-4,11-12,16H,5-6H2,1H3,(H,15,17)(H,18,19)(H,20,21)/t11-,12-/m0/s1 |
| InChIKey | JRYZEMHNDUZNMI-RYUDHWBXSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC1=C(NC(SC1)C(C(=O)O)NC(=O)Cc2cccs2)C(=O)O | | OpenEye OEToolkits 1.5.0 | CC1=C(N[C@@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2cccs2)C(=O)O | | CACTVS 3.341 | CC1=C(N[CH](SC1)[CH](NC(=O)Cc2sccc2)C(O)=O)C(O)=O | | CACTVS 3.341 | CC1=C(N[C@@H](SC1)[C@H](NC(=O)Cc2sccc2)C(O)=O)C(O)=O | | ACDLabs 10.04 | O=C(O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)C |
|
| Formula | C14 H16 N2 O5 S2 |
| Name | 2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID;
HYDROLYZED CEPHALOTHIN |
| ChEMBL | |
| DrugBank | DB02247 |
| ZINC | ZINC000002043394
|
| PDB chain | 1kvl Chain A Residue 380
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
