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BioLiP

PDB CCD ID: YQI
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N3 O3
InChI: InChI=1S/C8H11N3O3/c1-2-5(8(13)14)10-7(12)6-3-4-9-11-6/h3-5H,2H2,1H3,(H,9,11)(H,10,12)(H,13,14)/t5-/m0/s1
InChIKey: ASNWLZWZIDHNOQ-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[CH](NC(=O)c1cc[nH]n1)C(O)=O
OpenEye OEToolkits 2.0.7CC[C@@H](C(=O)O)NC(=O)c1cc[nH]n1
OpenEye OEToolkits 2.0.7CCC(C(=O)O)NC(=O)c1cc[nH]n1
CACTVS 3.385CC[C@H](NC(=O)c1cc[nH]n1)C(O)=O
Name:(2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)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).
  • 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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