SEQ2FUN

BioLiP

PDB CCD ID: A1B0N
Number of entries in BioLiP: 2
Chemical formula: C9 H9 N3
InChI: InChI=1S/C9H9N3/c10-8-4-3-5-11-9(8)12-6-1-2-7-12/h1-7H,10H2
InChIKey: QCTDPVKLZRURRV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52Nc1cccnc1n1cccc1
CACTVS 3.385Nc1cccnc1n2cccc2
OpenEye OEToolkits 3.1.0.0c1ccn(c1)c2c(cccn2)N
Name:2-(1H-pyrrol-1-yl)pyridin-3-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).