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BioLiP

PDB CCD ID: 6JY
Number of entries in BioLiP: 1
Chemical formula: C13 H18 N4 O3
InChI: InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m0/s1
InChIKey: RSYYQCDERUOEFI-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(O)=O
CACTVS 3.385NC(=N)NCCC[CH](NC(=O)c1ccccc1)C(O)=O
OpenEye OEToolkits 2.0.4c1ccc(cc1)C(=O)NC(CCCNC(=N)N)C(=O)O
ACDLabs 12.01N/C(NCCCC(NC(=O)c1ccccc1)C(=O)O)=N
OpenEye OEToolkits 2.0.4[H]/N=C(/N)\NCCC[C@@H](C(=O)O)NC(=O)c1ccccc1
Name:N~2~-(benzenecarbonyl)-L-arginine
ChEMBL: CHEMBL25380
ZINC: ZINC000001677520
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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