Structure of PDB 1b8n Chain A Binding Site BS01 |
|
|
|
| Ligand ID | IMG |
| InChI | InChI=1S/C11H15N5O4/c12-11-15-5-3(1-13-7(5)10(20)16-11)6-9(19)8(18)4(2-17)14-6/h1,4,6,8-9,13-14,17-19H,2H2,(H3,12,15,16,20)/t4-,6+,8-,9+/m1/s1 |
| InChIKey | KBIDJCVAURJXFG-PVEDRDFWSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.341 | NC1=Nc2c(c[nH]c2C(=O)N1)[C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O | | OpenEye OEToolkits 1.5.0 | c1c(c2c([nH]1)C(=O)NC(=N2)N)C3C(C(C(N3)CO)O)O | | OpenEye OEToolkits 1.5.0 | c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O | | CACTVS 3.341 | NC1=Nc2c(c[nH]c2C(=O)N1)[CH]3N[CH](CO)[CH](O)[CH]3O | | ACDLabs 10.04 | O=C1NC(=Nc2c1ncc2C3NC(CO)C(O)C3O)N |
|
| Formula | C11 H15 N5 O4 |
| Name | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9-DEAZAGUANIN-9-YL)-D-RIBITOL;
IMMUCILLIN-G |
| ChEMBL | CHEMBL473922 |
| DrugBank | DB02230 |
| ZINC | ZINC000013525011
|
| PDB chain | 1b8n Chain A Residue 600
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
