BioLiP

PDB

BioLiP

PDB CCD ID:

A1H4W

Number of entries in BioLiP:

Chemical formula:

C17 H19 N O5

InChI:

InChI=1S/C17H19NO5/c19-11-4-5-14-12(8-11)13(20)9-15(23-14)16(21)18-10-17(22)6-2-1-3-7-17/h4-5,8-9,19,22H,1-3,6-7,10H2,(H,18,21)

InChIKey:

LEGRYHJSBGMPHH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1O)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O
CACTVS 3.385	Oc1ccc2OC(=CC(=O)c2c1)C(=O)NCC3(O)CCCCC3

Name:

6-oxidanyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-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).