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BioLiP

PDB CCD ID: NOU
Number of entries in BioLiP: 2
Chemical formula: C9 H13 N3 O2
InChI: InChI=1S/C9H13N3O2/c10-7(9(13)14)4-6-12-8-3-1-2-5-11-8/h1-3,5,7H,4,6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKey: QJIQHEBKRNDRHG-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CCNc1ccccn1)C(O)=O
CACTVS 3.385N[C@@H](CCNc1ccccn1)C(O)=O
OpenEye OEToolkits 2.0.7c1ccnc(c1)NCCC(C(=O)O)N
OpenEye OEToolkits 2.0.7c1ccnc(c1)NCC[C@@H](C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CCNc1ccccn1
Name:(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic 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)(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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