SEQ2FUN

BioLiP

PDB CCD ID: A1BXH
Number of entries in BioLiP: 1
Chemical formula: C9 H7 Cl N2
InChI: InChI=1S/C9H7ClN2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-5H,(H2,11,12)
InChIKey: OIXSIWQVJINCRY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccnc2c(Cl)cccc12
OpenEye OEToolkits 3.1.0.0c1cc2c(ccnc2c(c1)Cl)N
ACDLabs 14.52Clc1cccc2c(N)ccnc12
Name:8-chloroquinolin-4-amine
ChEMBL: CHEMBL4847939
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).