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BioLiP

PDB CCD ID: GBG
Number of entries in BioLiP: 1
Chemical formula: C8 H16 Cl N3 O2
InChI: InChI=1S/C8H16ClN3O2/c9-5-7(11)12-4-2-1-3-6(10)8(13)14/h6H,1-5,10H2,(H2,11,12)(H,13,14)/t6-/m0/s1
InChIKey: MVFMGXXYJDHANY-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CCNC(=N)CCl)CC(C(=O)O)N
CACTVS 3.385N[CH](CCCCNC(=N)CCl)C(O)=O
OpenEye OEToolkits 2.0.6[H]/N=C(\CCl)/NCCCC[C@@H](C(=O)O)N
ACDLabs 12.01C(CC(N)C(O)=O)CCN/C(CCl)=N
CACTVS 3.385N[C@@H](CCCCNC(=N)CCl)C(O)=O
Name:N~6~-[(1E)-2-chloroethanimidoyl]-L-lysine
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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