BioLiP

PDB

BioLiP

PDB CCD ID:

A1D5H

Number of entries in BioLiP:

Chemical formula:

C11 H16 N2 O3

InChI:

InChI=1S/C11H16N2O3/c12-9-3-5-10(6-4-9)13-11(15)16-8-2-1-7-14/h3-6,14H,1-2,7-8,12H2,(H,13,15)

InChIKey:

UEFKPOWGEZOFJI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1N)NC(=O)OCCCCO
CACTVS 3.385	Nc1ccc(NC(=O)OCCCCO)cc1

Name:

4-oxidanylbutyl ~{N}-(4-aminophenyl)carbamate

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).