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BioLiP

PDB CCD ID: 0AH
Number of entries in BioLiP: 0
Chemical formula: C5 H8 Br N O4
InChI: InChI=1S/C5H8BrNO4/c6-1-4(8)11-2-3(7)5(9)10/h3H,1-2,7H2,(H,9,10)/t3-/m0/s1
InChIKey: PNOKHJAKXLINKP-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](COC(=O)CBr)C(O)=O
CACTVS 3.341N[CH](COC(=O)CBr)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)OC(=O)CBr
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)OC(=O)CBr
ACDLabs 10.04BrCC(=O)OCC(C(=O)O)N
Name:O-(bromoacetyl)-L-serine
ZINC: ZINC000058638351
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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