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BioLiP

PDB CCD ID: 0AR
Number of entries in BioLiP: 0
Chemical formula: C8 H16 N4 O3
InChI: InChI=1S/C8H16N4O3/c1-5(13)12-8(10)11-4-2-3-6(9)7(14)15/h6H,2-4,9H2,1H3,(H,14,15)(H3,10,11,12,13)/t6-/m0/s1
InChIKey: IHBIRUKKKZVHQW-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=O)NC(=N)NCCCC(C(=O)O)N
CACTVS 3.352CC(=O)NC(=N)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.0[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(=O)C
CACTVS 3.352CC(=O)NC(=N)NCCC[CH](N)C(O)=O
ACDLabs 11.02O=C(O)C(N)CCCNC(=[N@H])NC(=O)C
Name:N-[N-[(4S)-4-azanyl-5-hydroxy-5-oxo-pentyl]carbamimidoyl]ethanamide
ZINC: ZINC000004155291
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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