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BioLiP

PDB CCD ID: GGB
Number of entries in BioLiP: 31
Chemical formula: C5 H12 N4 O3
InChI: InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1
InChIKey: FSBIGDSBMBYOPN-VKHMYHEASA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)CCONC(=[N@H])N
OpenEye OEToolkits 1.5.0[H]N=C(N)NOCCC(C(=O)O)N
CACTVS 3.341N[CH](CCONC(N)=N)C(O)=O
CACTVS 3.341N[C@@H](CCONC(N)=N)C(O)=O
OpenEye OEToolkits 1.5.0[H]/N=C(\N)/NOCC[C@@H](C(=O)O)N
Name:L-CANAVANINE;
L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID
ChEMBL: CHEMBL443732
DrugBank: DB01833
ZINC: ZINC000003869452
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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