BioLiP

PDB

BioLiP

PDB CCD ID:

WQJ

Number of entries in BioLiP:

Chemical formula:

C8 H10 N2 O

InChI:

InChI=1S/C8H10N2O/c9-7-3-6-5-11-2-1-8(6)10-4-7/h3-4H,1-2,5,9H2

InChIKey:

MDASSZXVCIBITR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cnc2CCOCc2c1
ACDLabs 12.01	Nc2cnc1CCOCc1c2
OpenEye OEToolkits 2.0.7	c1c(cnc2c1COCC2)N

Name:

7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine

ZINC:

ZINC000034478730

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).