BioLiP

PDB

BioLiP

PDB CCD ID:

Y0J

Number of entries in BioLiP:

Chemical formula:

C17 H16 N4 O4

InChI:

InChI=1S/C17H16N4O4/c22-15(14-6-3-11-24-14)20-7-9-21(10-8-20)17(23)19-16-18-12-4-1-2-5-13(12)25-16/h1-6,11H,7-10H2,(H,18,19,23)

InChIKey:

HEPZUVCMUSWIQM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n2c1c(cccc1)oc2NC(N4CCN(C(=O)c3ccco3)CC4)=O
CACTVS 3.385	O=C(Nc1oc2ccccc2n1)N3CCN(CC3)C(=O)c4occc4
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)nc(o2)NC(=O)N3CCN(CC3)C(=O)c4ccco4

Name:

N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

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).