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BioLiP

PDB CCD ID: HKY
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc2CNCCc2c1
OpenEye OEToolkits 1.9.2c1cc2c(cc1C(=O)O)CCNC2
ACDLabs 12.01O=C(O)c1ccc2c(c1)CCNC2
Name:1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
ZINC: ZINC000016698348
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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