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BioLiP

PDB CCD ID: ZTK
Number of entries in BioLiP: 0
Chemical formula: C4 H6 N2 O2
InChI: InChI=1S/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1
InChIKey: BXRLWGXPSRYJDZ-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C#N)C(C(=O)O)N
CACTVS 3.385N[CH](CC#N)C(O)=O
CACTVS 3.385N[C@@H](CC#N)C(O)=O
OpenEye OEToolkits 2.0.7C(C#N)[C@@H](C(=O)O)N
ACDLabs 12.01N#CCC(N)C(=O)O
Name:(2S)-2-amino-3-cyanopropanoic acid
ChEMBL: CHEMBL4172293
ZINC: ZINC000000901380
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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