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BioLiP

PDB CCD ID: DIR
Number of entries in BioLiP: 3
Chemical formula: C4 H10 N4 O3
InChI: InChI=1S/C4H10N4O3/c5-2(3(9)10)1-7-4(6)8-11/h2,11H,1,5H2,(H,9,10)(H3,6,7,8)/t2-/m0/s1
InChIKey: RPHCSGPGZUWMRV-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[CH](CNC(N)=NO)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)N/C(=N/O)/N
CACTVS 3.341N[C@@H](CN\C(N)=N\O)C(O)=O
ACDLabs 10.04O=C(O)C(N)CN\C(=N\O)N
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)NC(=NO)N
Name:3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINE;
DINOR-N(OMEGA)-HYDROXY-L-ARGININE
DrugBank: DB02499
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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