SEQ2FUN

BioLiP

PDB CCD ID: A1BXC
Number of entries in BioLiP: 1
Chemical formula: C9 H7 Cl N2
InChI: InChI=1S/C9H7ClN2/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5H,(H2,11,12)
InChIKey: LFNYFPRSHXRDDH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(ccc(n2)N)c(c1)Cl
ACDLabs 14.52Clc1cccc2nc(N)ccc12
CACTVS 3.385Nc1ccc2c(Cl)cccc2n1
Name:5-chloroquinolin-2-amine
ChEMBL: CHEMBL5608063
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).