SEQ2FUN

BioLiP

PDB CCD ID: 2AQ
Number of entries in BioLiP: 9
Chemical formula: C9 H8 N2
InChI: InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
InChIKey: GCMNJUJAKQGROZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)ccc(n2)N
ACDLabs 10.04n1c(ccc2ccccc12)N
CACTVS 3.341Nc1ccc2ccccc2n1
Name:QUINOLIN-2-AMINE;
2-AMINOQUINOLINE
ChEMBL: CHEMBL61236
ZINC: ZINC000019074717
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).