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BioLiP

PDB CCD ID: 6ZS
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O2
InChI: InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m0/s1
InChIKey: GCHPUFAZSONQIV-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[C@](C)(N)C(O)=O
OpenEye OEToolkits 2.0.6CCC(C)(C(=O)O)N
CACTVS 3.385CC[C](C)(N)C(O)=O
OpenEye OEToolkits 2.0.6CC[C@@](C)(C(=O)O)N
Name:L-isovaline
ZINC: ZINC000000901761
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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