SEQ2FUN

BioLiP

PDB CCD ID: QNR
Number of entries in BioLiP: 1
Chemical formula: C11 H9 N3
InChI: InChI=1S/C11H9N3/c12-10-8-4-2-1-3-7(8)9-5-6-13-11(9)14-10/h1-6H,(H3,12,13,14)
InChIKey: OEJVERPJEZHNRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc2c(c1)c3cc[nH]c3nc2N
CACTVS 3.385Nc1nc2[nH]ccc2c3ccccc13
Name:3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine
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).