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BioLiP

PDB CCD ID: A8E
Number of entries in BioLiP: 0
Chemical formula: C5 H8 Br N O2
InChI: InChI=1S/C5H8BrNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)/t4-/m0/s1
InChIKey: YTCSGBSYHNQHFD-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Br\C(=C)CC(N)C(=O)O
CACTVS 3.370N[C@@H](CC(Br)=C)C(O)=O
OpenEye OEToolkits 1.7.2C=C(C[C@@H](C(=O)O)N)Br
OpenEye OEToolkits 1.7.2C=C(CC(C(=O)O)N)Br
CACTVS 3.370N[CH](CC(Br)=C)C(O)=O
Name:(2S)-2-amino-4-bromopent-4-enoic acid
ZINC: ZINC000002046242
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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