BioLiP

PDB

BioLiP

PDB CCD ID:

JWG

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O5

InChI:

InChI=1S/C7H11NO5/c9-5(1-2-6(10)11)8-4-3-7(12)13/h1-4H2,(H,8,9)(H,10,11)(H,12,13)

InChIKey:

NFQWOKKYYQQDCQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCNC(=O)CCC(O)=O
OpenEye OEToolkits 2.0.7	C(CC(=O)O)C(=O)NCCC(=O)O

Name:

4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid

ZINC:

ZINC000037792768

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).