SEQ2FUN

BioLiP

PDB CCD ID: SLC
Number of entries in BioLiP: 2
Chemical formula: C9 H13 N O3 Se
InChI: InChI=1S/C9H13NO3Se/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h7,14H,1-5H2,(H,12,13)/t7-/m0/s1
InChIKey: YLSOIJMYGUURIT-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)[C@@H]1CCCN1C(=O)C(=C)C[SeH]
CACTVS 3.370OC(=O)[CH]1CCCN1C(=O)C(=C)C[SeH]
OpenEye OEToolkits 1.7.0C=C(C[SeH])C(=O)N1CCCC1C(=O)O
ACDLabs 12.01O=C(O)C1N(C(=O)\\C(=C)C[SeH])CCC1
Name:SELENO-CAPTOPRIL;
1-[2-(SELANYLMETHYL)ACRYLOYL]-L-PROLINE
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).