SEQ2FUN

BioLiP

PDB CCD ID: 2NW
Number of entries in BioLiP: 1
Chemical formula: C9 H7 Br N2
InChI: InChI=1S/C9H7BrN2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,(H2,11,12)
InChIKey: TYGUEEGQSYNEHB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c(cn2)Br)N
CACTVS 3.385Nc1c(Br)cnc2ccccc12
ACDLabs 12.01Brc1c(c2ccccc2nc1)N
Name:3-bromoquinolin-4-amine
ZINC: ZINC000000331160
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).