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BioLiP

PDB CCD ID: VPR
Number of entries in BioLiP: 7
Chemical formula: C8 H17 N O
InChI: InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKey: OMOMUFTZPTXCHP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(N)C(CCC)CCC
OpenEye OEToolkits 1.5.0CCCC(CCC)C(=O)N
CACTVS 3.341CCCC(CCC)C(N)=O
Name:2-PROPYLPENTANAMIDE;
VALPROMIDE
ChEMBL: CHEMBL93836
DrugBank: DB04165
ZINC: ZINC000000002238
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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