Structure of PDB 1pwc Chain A Binding Site BS01 |
|
|
|
| Ligand ID | PNM |
| InChI | InChI=1S/C16H20N2O4S/c1-16(2)13(15(21)22)18-14(23-16)11(9-19)17-12(20)8-10-6-4-3-5-7-10/h3-7,9,11,13-14,18H,8H2,1-2H3,(H,17,20)(H,21,22)/t11-,13+,14-/m1/s1 |
| InChIKey | OGFZUTGOGYUTKZ-KWCYVHTRSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC1(C(NC(S1)C(C=O)NC(=O)Cc2ccccc2)C(=O)O)C | | OpenEye OEToolkits 1.5.0 | CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)Cc2ccccc2)C(=O)O)C | | ACDLabs 10.04 | O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)Cc2ccccc2 | | CACTVS 3.341 | CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O)Cc2ccccc2)C=O | | CACTVS 3.341 | CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)Cc2ccccc2)C=O |
|
| Formula | C16 H20 N2 O4 S |
| Name | OPEN FORM - PENICILLIN G |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000006591277
|
| PDB chain | 1pwc Chain A Residue 400
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
