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BioLiP

PDB CCD ID: KSN
Number of entries in BioLiP: 1
Chemical formula: C10 H16 N2 O7
InChI: InChI=1S/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t5-,6-/m0/s1
InChIKey: OWQDWQKWSLFFFR-WDSKDSINSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O
CACTVS 3.385N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)NC(CCC(=O)O)C(=O)O)C(C(=O)O)N
OpenEye OEToolkits 2.0.7C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C(=O)O)N
Name:(2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
ZINC: ZINC000002242694
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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