SEQ2FUN

BioLiP

PDB CCD ID: QD1
Number of entries in BioLiP: 2
Chemical formula: C9 H7 Cl N2
InChI: InChI=1S/C9H7ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
InChIKey: ANAOKPHXXDXCAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1ccc2nccc(N)c2c1
CACTVS 3.385Nc1ccnc2ccc(Cl)cc12
OpenEye OEToolkits 2.0.7c1cc2c(cc1Cl)c(ccn2)N
Name:6-chloroquinolin-4-amine
ChEMBL: CHEMBL4847851
ZINC: ZINC000014988299
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).