BioLiP

PDB

BioLiP

PDB CCD ID:

HKY

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O2

InChI:

InChI=1S/C10H11NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-2,5,11H,3-4,6H2,(H,12,13)

InChIKey:

QEMYLDYQDFRTRT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccc2CNCCc2c1
OpenEye OEToolkits 1.9.2	c1cc2c(cc1C(=O)O)CCNC2
ACDLabs 12.01	O=C(O)c1ccc2c(c1)CCNC2

Name:

1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid

ZINC:

ZINC000016698348

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).