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BioLiP

PDB CCD ID: V7T
Number of entries in BioLiP: 1
Chemical formula: C7 H16 N4 O2
InChI: InChI=1S/C7H16N4O2/c8-4-2-1-3-5(6(12)13)11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m1/s1
InChIKey: FCYNCKFWUCHGHB-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCCC[C@@H](NC(N)=N)C(O)=O
CACTVS 3.385NCCCC[CH](NC(N)=N)C(O)=O
OpenEye OEToolkits 2.0.7C(CCN)CC(C(=O)O)NC(=N)N
OpenEye OEToolkits 2.0.7[H]/N=C(\N)/N[C@H](CCCCN)C(=O)O
Name:(2R)-6-azanyl-2-carbamimidamido-hexanoic 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).
  • 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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