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BioLiP

PDB CCD ID: XS6
Number of entries in BioLiP: 7
Chemical formula: C9 H21 N3 O2
InChI: InChI=1S/C9H21N3O2/c10-6-4-8-11-7-3-1-2-5-9(13)12-14/h11,14H,1-8,10H2,(H,12,13)
InChIKey: BREASWSBOVLQOH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCCNCCCCCC(=O)NO
ACDLabs 12.01C(CCNCCCCCC(NO)=O)N
OpenEye OEToolkits 1.9.2C(CCC(=O)NO)CCNCCCN
Name:6-[(3-aminopropyl)amino]-N-hydroxyhexanamide
ChEMBL: CHEMBL77840
ZINC: ZINC000013725116
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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