BioLiP

PDB

BioLiP

PDB CCD ID:

MX4

Number of entries in BioLiP:

Chemical formula:

C13 H16 N2 O5

InChI:

InChI=1S/C13H16N2O5/c14-15(8-12(17)18)11(16)6-7-13(19)20-9-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,17,18)

InChIKey:

SRDUWAQDKBDRDT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NN(CC(O)=O)C(=O)CCC(=O)OCc1ccccc1
ACDLabs 10.04	O=C(O)CN(N)C(=O)CCC(=O)OCc1ccccc1
OpenEye OEToolkits 1.5.0	c1ccc(cc1)COC(=O)CCC(=O)N(CC(=O)O)N

Name:

{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID

ZINC:

ZINC000058650027

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).