BioLiP

PDB

BioLiP

PDB CCD ID:

OGB

Number of entries in BioLiP:

Chemical formula:

C11 H9 N O2

InChI:

InChI=1S/C11H9NO2/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10/h2-7H,1H3

InChIKey:

AYIKNXKAUAUIBW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COC(=O)c1cccc2c1ccnc2
CACTVS 3.385	COC(=O)c1cccc2cnccc12

Name:

methyl isoquinoline-5-carboxylate

ZINC:

ZINC000001757562

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).