SEQ2FUN

BioLiP

PDB CCD ID: 1LZ
Number of entries in BioLiP: 1
Chemical formula: C8 H8 N2 O
InChI: InChI=1S/C8H8N2O/c11-5-6-3-8-7(10-4-6)1-2-9-8/h1-4,9,11H,5H2
InChIKey: PHEOXCPRDIGDAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c[nH]c2c1ncc(c2)CO
CACTVS 3.370OCc1cnc2cc[nH]c2c1
ACDLabs 12.01n1cc(cc2c1ccn2)CO
Name:1H-pyrrolo[3,2-b]pyridin-6-ylmethanol
ZINC: ZINC000014401114
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).