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BioLiP

PDB CCD ID: QQ8
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N3 O3
InChI: InChI=1S/C6H13N3O3/c7-4(1-2-5(8)10)3-9-6(11)12/h4,9H,1-3,7H2,(H2,8,10)(H,11,12)/t4-/m0/s1
InChIKey: MISYRPXYMKXXTM-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CCC(N)=O)CNC(O)=O
CACTVS 3.385N[C@@H](CCC(N)=O)CNC(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)N)[C@@H](CNC(=O)O)N
OpenEye OEToolkits 2.0.7C(CC(=O)N)C(CNC(=O)O)N
Name:(4~{S})-4-azanyl-5-formamido-pentanamide
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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