BioLiP

PDB

BioLiP

PDB CCD ID:

A1I7W

Number of entries in BioLiP:

Chemical formula:

C8 H8 N2 O

InChI:

InChI=1S/C8H8N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-4,11H,5H2,(H,9,10)

InChIKey:

VWPSBHFXPGWHDI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCc1c[nH]c2ncccc12
OpenEye OEToolkits 2.0.7	c1cc2c(c[nH]c2nc1)CO

Name:

1~{H}-pyrrolo[2,3-b]pyridin-3-ylmethanol

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).