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BioLiP Library

PDB CCD ID: AKL
Number of entries in BioLiP: 0
Chemical formula: C5 H8 Cl N O3
InChI: InChI=1S/C5H8ClNO3/c6-2-4(8)3(7)1-5(9)10/h3H,1-2,7H2,(H,9,10)/t3-/m0/s1
InChIKey: TWRMILSMIZUGQO-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)CCl)N)C(=O)O
CACTVS 3.341N[CH](CC(O)=O)C(=O)CCl
CACTVS 3.341N[C@@H](CC(O)=O)C(=O)CCl
ACDLabs 10.04O=C(CCl)C(N)CC(=O)O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)CCl)N)C(=O)O
Name:3-AMINO-5-CHLORO-4-OXOPENTANOIC ACID;
ASPARTIC ACID CHLOROMETHYL KETONE
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)(download the PDF file).
  • 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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