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BioLiP

PDB CCD ID: 39J
Number of entries in BioLiP: 2
Chemical formula: C4 H7 Cl O2
InChI: InChI=1S/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey: RVBUZBPJAGZHSQ-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC[C@@H](C(=O)O)Cl
ACDLabs 12.01ClC(C(=O)O)CC
CACTVS 3.385CC[C@H](Cl)C(O)=O
OpenEye OEToolkits 1.9.2CCC(C(=O)O)Cl
CACTVS 3.385CC[CH](Cl)C(O)=O
Name:(2S)-2-chlorobutanoic acid
ZINC: ZINC000002038037
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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