SEQ2FUN

BioLiP

PDB CCD ID: 7VL
Number of entries in BioLiP: 4
Chemical formula: C16 H12 Cl N O
InChI: InChI=1S/C16H12ClNO/c1-10-8-11(2-5-16(10)19)13-6-7-18-15-9-12(17)3-4-14(13)15/h2-9,19H,1H3
InChIKey: VBXAMTUJCKJXCI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(ccc1O)c2ccnc3cc(Cl)ccc23
OpenEye OEToolkits 2.0.6Cc1cc(ccc1O)c2ccnc3c2ccc(c3)Cl
Name:4-(7-chloranylquinolin-4-yl)-2-methyl-phenol
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).