SEQ2FUN

BioLiP

PDB CCD ID: A1I8T
Number of entries in BioLiP: 2
Chemical formula: C15 H10 Cl N5
InChI: InChI=1S/C15H10ClN5/c16-12-8-18-15-11(6-7-17-15)14(12)13-9-21(20-19-13)10-4-2-1-3-5-10/h1-9H,(H,17,18)
InChIKey: UWZZSCUXYKAYDG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cnc2[nH]ccc2c1c3cn(nn3)c4ccccc4
OpenEye OEToolkits 2.0.7c1ccc(cc1)n2cc(nn2)c3c4cc[nH]c4ncc3Cl
Name:5-chloranyl-4-(1-phenyl-1,2,3-triazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
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).