BioLiP

PDB

BioLiP

PDB CCD ID:

VFA

Number of entries in BioLiP:

Chemical formula:

C21 H18 N2 O3

InChI:

InChI=1S/C21H18N2O3/c1-25-17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-26-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24)

InChIKey:

SIKMVWPMDNIKAY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4
CACTVS 3.385	COc1cccc(CNC(=O)c2ccc3c(OCc4cnccc34)c2)c1
ACDLabs 12.01	c1c(cccc1OC)CNC(c4ccc3c2ccncc2COc3c4)=O

Name:

N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide

ChEMBL:

CHEMBL4797055

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).