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BioLiP

PDB CCD ID: 0W6
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O2
InChI: InChI=1S/C5H11NO2/c1-4(6)2-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKey: ABSTXSZPGHDTAF-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[C@H](N)CCC(O)=O
OpenEye OEToolkits 1.7.6CC(CCC(=O)O)N
OpenEye OEToolkits 1.7.6C[C@@H](CCC(=O)O)N
CACTVS 3.370C[CH](N)CCC(O)=O
ACDLabs 12.01O=C(O)CCC(N)C
Name:(4S)-4-aminopentanoic acid;
(2E,4S)-4-aminopent-2-enoic acid, Bound form
ChEMBL: CHEMBL284327
ZINC: ZINC000003581353
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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