SEQ2FUN

BioLiP

PDB CCD ID: SNQ
Number of entries in BioLiP: 3
Chemical formula: C11 H9 N3
InChI: InChI=1S/C11H9N3/c12-8-9-7-10(13)3-4-11(9)14-5-1-2-6-14/h1-7H,13H2
InChIKey: VDMUMLCWGQEGDZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc(n2cccc2)c(c1)C#N
OpenEye OEToolkits 2.0.6c1ccn(c1)c2ccc(cc2C#N)N
Name:5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile
ChEMBL: CHEMBL1406326
ZINC: ZINC000000150791
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).