SEQ2FUN

BioLiP

PDB CCD ID: MRW
Number of entries in BioLiP: 1
Chemical formula: C9 H6 Cl N O
InChI: InChI=1S/C9H6ClNO/c10-6-1-2-7-8(5-6)11-4-3-9(7)12/h1-5H,(H,11,12)
InChIKey: XMFXTXKSWIDMER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccnc2cc(Cl)ccc12
ACDLabs 12.01Clc1cc2nccc(O)c2cc1
OpenEye OEToolkits 1.7.6c1cc2c(ccnc2cc1Cl)O
Name:7-chloroquinolin-4-ol
ChEMBL: CHEMBL1409793
ZINC: ZINC000008680041
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).