SEQ2FUN

BioLiP

PDB CCD ID: A1BC3
Number of entries in BioLiP: 1
Chemical formula: C11 H11 N O
InChI: InChI=1S/C11H11NO/c1-8-6-9(7-13)10-4-2-3-5-11(10)12-8/h2-6,13H,7H2,1H3
InChIKey: MNDWQNXETQDJMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52OCc1cc(C)nc2ccccc12
OpenEye OEToolkits 3.1.0.0Cc1cc(c2ccccc2n1)CO
CACTVS 3.385Cc1cc(CO)c2ccccc2n1
Name:(2-methylquinolin-4-yl)methanol
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).