SEQ2FUN

BioLiP

PDB CCD ID: QBC
Number of entries in BioLiP: 5
Chemical formula: C9 H7 Cl N2
InChI: InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
InChIKey: NDRZSRWMMUGOBP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(ccnc2cc1Cl)N
CACTVS 3.385Nc1ccnc2cc(Cl)ccc12
ACDLabs 12.01Clc1cc2nccc(N)c2cc1
Name:7-chloroquinolin-4-amine
ChEMBL: CHEMBL44789
ZINC: ZINC000000436635
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).