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BioLiP

PDB CCD ID: 08M
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N4 O3
InChI: InChI=1S/C10H14N4O3/c11-7(10(16)17)2-1-3-14-9(15)8-6-12-4-5-13-8/h4-7H,1-3,11H2,(H,14,15)(H,16,17)/t7-/m0/s1
InChIKey: GJGIGJGNECGMMN-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cnc(cn1)C(=O)NCCCC(C(=O)O)N
CACTVS 3.370N[CH](CCCNC(=O)c1cnccn1)C(O)=O
ACDLabs 12.01O=C(NCCCC(C(=O)O)N)c1nccnc1
OpenEye OEToolkits 1.7.6c1cnc(cn1)C(=O)NCCC[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCCNC(=O)c1cnccn1)C(O)=O
Name:N~5~-(pyrazin-2-ylcarbonyl)-L-ornithine
ZINC: ZINC000002567637
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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