Structure of PDB 5pak Chain C Binding Site BS02 |
|
|
|
| Ligand ID | 7YP |
| InChI | InChI=1S/C19H23N3O5/c1-26-18(13-4-6-15(23)7-5-13)19(25)22-10-14-3-2-12(9-20)8-16(14)27-11-17(21)24/h2-8,18,23H,9-11,20H2,1H3,(H2,21,24)(H,22,25)/t18-/m0/s1 |
| InChIKey | ZCVNZLWWFYCDGA-SFHVURJKSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | COC(c1ccc(cc1)O)C(=O)NCc2ccc(cc2OCC(=O)N)CN | | CACTVS 3.385 | CO[CH](C(=O)NCc1ccc(CN)cc1OCC(N)=O)c2ccc(O)cc2 | | CACTVS 3.385 | CO[C@H](C(=O)NCc1ccc(CN)cc1OCC(N)=O)c2ccc(O)cc2 | | OpenEye OEToolkits 2.0.6 | CO[C@@H](c1ccc(cc1)O)C(=O)NCc2ccc(cc2OCC(=O)N)CN |
|
| Formula | C19 H23 N3 O5 |
| Name | (2~{S})-~{N}-[[4-(aminomethyl)-2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxy-ethanami de;
N-[[4-(aminomethyl)-2-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(4-hydroxyphenyl)-2-methoxyacetamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 5pak Chain C Residue 504
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Enzyme Commision number |
3.4.21.21: coagulation factor VIIa. |
|
|
|
|
|
