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BioLiP

PDB CCD ID: 1J1
Number of entries in BioLiP: 5
Chemical formula: C11 H19 N3 O3
InChI: InChI=1S/C11H19N3O3/c12-8(11(16)17)4-1-2-6-14-10(15)9-5-3-7-13-9/h7-9H,1-6,12H2,(H,14,15)(H,16,17)/t8-,9+/m0/s1
InChIKey: HFVPBQOSFYXKQZ-DTWKUNHWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CC(N=C1)C(=O)NCCCCC(C(=O)O)N
CACTVS 3.370N[CH](CCCCNC(=O)[CH]1CCC=N1)C(O)=O
OpenEye OEToolkits 1.7.6C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N
ACDLabs 12.01O=C(NCCCCC(C(=O)O)N)C1N=CCC1
CACTVS 3.370N[C@@H](CCCCNC(=O)[C@H]1CCC=N1)C(O)=O
Name:N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine;
pyrroline-carboxy-lysine;
PCL
ZINC: ZINC000095921422
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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