BioLiP

PDB

BioLiP

PDB CCD ID:

OL8

Number of entries in BioLiP:

Chemical formula:

C15 H10 N2 O4

InChI:

InChI=1S/C15H10N2O4/c18-13-6-7-14(19)17(13)11-4-1-3-10(9-11)16-15(20)12-5-2-8-21-12/h1-9H,(H,16,20)

InChIKey:

TWPCCROXKVASGR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(Nc1cccc(c1)N2C(=O)C=CC2=O)c3occc3
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)N2C(=O)C=CC2=O)NC(=O)c3ccco3

Name:

~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-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).