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BioLiP

PDB CCD ID: 8F4
Number of entries in BioLiP: 1
Chemical formula: C6 H12 N2 O
InChI: InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1
InChIKey: BOWUOGIPSRVRSJ-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH]1CCCCNC1=O
OpenEye OEToolkits 2.0.6C1CCNC(=O)[C@H](C1)N
CACTVS 3.385N[C@H]1CCCCNC1=O
OpenEye OEToolkits 2.0.6C1CCNC(=O)C(C1)N
Name:(3~{S})-3-azanylazepan-2-one
ChEMBL: CHEMBL288850
ZINC: ZINC000003785353
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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