BioLiP

PDB

BioLiP

PDB CCD ID:

WET

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O3

InChI:

InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1

InChIKey:

HIKCRLDSCSWXML-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1O)CNC(C2)C(=O)O
CACTVS 3.385	OC(=O)[CH]1Cc2ccc(O)cc2CN1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1O)CN[C@@H](C2)C(=O)O
CACTVS 3.385	OC(=O)[C@@H]1Cc2ccc(O)cc2CN1

Name:

L-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;
(3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

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).