SEQ2FUN

BioLiP

PDB CCD ID: 1X1
Number of entries in BioLiP: 0
Chemical formula: C10 H11 N O2
InChI: InChI=1S/C10H11NO2/c12-10(13)11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2,(H,12,13)
InChIKey: DLPDBBPTTGBGRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)CCN(C2)C(=O)O
ACDLabs 12.01O=C(O)N2Cc1c(cccc1)CC2
CACTVS 3.385OC(=O)N1CCc2ccccc2C1
Name:3,4-dihydroisoquinoline-2(1H)-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).