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BioLiP Library

PDB CCD ID: ALG
Number of entries in BioLiP: 1
Chemical formula: C5 H11 N3 O2
InChI: InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
InChIKey: TUHVEAJXIMEOSA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CC(=O)O)CNC(=N)N
ACDLabs 12.01O=C(O)CCCNC(=[N@H])N
CACTVS 3.370NC(=N)NCCCC(O)=O
OpenEye OEToolkits 1.7.0[H]/N=C(\N)/NCCCC(=O)O
Name:4-carbamimidamidobutanoic acid
ChEMBL: CHEMBL21157
ZINC: ZINC000001532820
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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