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BioLiP

PDB CCD ID: IAR
Number of entries in BioLiP: 2
Chemical formula: C6 H12 N4 O2
InChI: InChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h7H,1-3H2,(H,11,12)(H4,8,9,10)/b7-4+
InChIKey: YWGYOCPWFDUKSA-QPJJXVBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CC(=N)C(=O)O)CNC(=N)N
OpenEye OEToolkits 1.7.0[H]/N=C(\CCCN/C(=N/[H])/N)/C(=O)O
ACDLabs 12.01O=C(O)C(=[N@H])CCCNC(=[N@H])N
CACTVS 3.370NC(=N)NCCCC(=N)C(O)=O
Name:(2E)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid
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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