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BioLiP Library

PDB CCD ID: 4D4
Number of entries in BioLiP: 0
Chemical formula: C6 H14 N4 O3
InChI: InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4+/m1/s1
InChIKey: VIDUVSPOWYVZIC-DMTCNVIQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CNC(=N)N)C(C(C(=O)O)N)O
ACDLabs 12.01C(O)(=O)C(C(CCN/C(N)=N)O)N
CACTVS 3.385N[CH]([CH](O)CCNC(N)=N)C(O)=O
OpenEye OEToolkits 1.7.6[H]/N=C(/N)\NCC[C@H]([C@@H](C(=O)O)N)O
CACTVS 3.385N[C@@H]([C@H](O)CCNC(N)=N)C(O)=O
Name:(2S,3R)-2-azanyl-5-carbamimidamido-3-oxidanyl-pentanoic acid
ZINC: ZINC000085892021
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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