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BioLiP

PDB CCD ID: 41Q
Number of entries in BioLiP: 0
Chemical formula: C4 H8 N2 O3
InChI: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKey: DCXYFEDJOCDNAF-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CC(O)=N)C(O)=O
OpenEye OEToolkits 1.7.6[H]/N=C(/C[C@@H](C(=O)O)N)\O
OpenEye OEToolkits 1.7.6C(C(C(=O)O)N)C(=N)O
ACDLabs 12.01O=C(O)C(N)CC(=[N@H])O
CACTVS 3.385N[CH](CC(O)=N)C(O)=O
Name:4-imino-L-homoserine
ChEMBL: CHEMBL58832
DrugBank: DB00174
ZINC: ZINC000001532556
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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