BioLiP

PDB

BioLiP

PDB CCD ID:

ZRF

Number of entries in BioLiP:

Chemical formula:

C8 H11 N3 O4

InChI:

InChI=1S/C8H11N3O4/c1-4(9)7-10-5(3-12)8(15)11(7)2-6(13)14/h3-4,12H,2,9H2,1H3,(H,13,14)/b5-3+/t4-/m0/s1

InChIKey:

FVXPLHKMTPOASN-MXFQXMHVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](N)C1=N\C(=C\O)C(=O)N1CC(O)=O
CACTVS 3.385	C[CH](N)C1=NC(=CO)C(=O)N1CC(O)=O
OpenEye OEToolkits 2.0.7	CC(C1=N/C(=C/O)/C(=O)N1CC(=O)O)N
OpenEye OEToolkits 2.0.7	CC(C1=NC(=CO)C(=O)N1CC(=O)O)N

Name:

2-[(4E)-2-[(1S)-1-aminoethyl]-4-(hydroxymethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).