BioLiP

PDB

BioLiP

PDB CCD ID:

RYG

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O3

InChI:

InChI=1S/C11H14N2O3/c14-10-8(4-1-2-6-12-10)13-11(15)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2,(H,12,14)(H,13,15)/t8-/m1/s1

InChIKey:

KMCPPIBDTMYPRI-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O
OpenEye OEToolkits 2.0.6	c1cc(oc1)C(=O)NC2CCCCNC2=O
CACTVS 3.385	O=C1NCCCC[C@H]1NC(=O)c2occc2
CACTVS 3.385	O=C1NCCCC[CH]1NC(=O)c2occc2

Name:

~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide

ZINC:

ZINC000000153520

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).