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BioLiP Library

PDB CCD ID: 7XC
Number of entries in BioLiP: 0
Chemical formula: C10 H14 N4 O2
InChI: InChI=1S/C10H14N4O2/c11-8(9(15)16)5-6-1-3-7(4-2-6)14-10(12)13/h1-4,8H,5,11H2,(H,15,16)(H4,12,13,14)/t8-/m1/s1
InChIKey: FYMNTAQFDTZISY-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@H](Cc1ccc(NC(N)=N)cc1)C(O)=O
OpenEye OEToolkits 2.0.6[H]/N=C(\N)/Nc1ccc(cc1)C[C@H](C(=O)O)N
OpenEye OEToolkits 2.0.6c1cc(ccc1CC(C(=O)O)N)NC(=N)N
CACTVS 3.385N[CH](Cc1ccc(NC(N)=N)cc1)C(O)=O
Name:(2R)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid
ZINC: ZINC000006512393
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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