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BioLiP

PDB CCD ID: WEZ
Number of entries in BioLiP: 0
Chemical formula: C8 H16 N4 O3
InChI: InChI=1S/C8H16N4O3/c9-6(4-13)2-1-3-11-8(10)12-7(15)5-14/h4-7,15H,1-3,9H2,(H3,10,11,12)/t6-,7-/m0/s1
InChIKey: TWQSZMYTEFCVLR-BQBZGAKWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC(C=O)N)CNC(=N)NC(C=O)O
CACTVS 3.385N[CH](CCCNC(=N)N[CH](O)C=O)C=O
OpenEye OEToolkits 2.0.7C(C[C@@H](C=O)N)CNC(=N)N[C@H](C=O)O
CACTVS 3.385N[C@@H](CCCNC(=N)N[C@@H](O)C=O)C=O
ACDLabs 12.01O=CC(N)CCCNC(=N)NC(O)C=O
Name:N-[(4S)-4-amino-5-oxopentyl]-N'-[(1S)-1-hydroxy-2-oxoethyl]guanidine
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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