BioLiP

PDB

BioLiP

PDB CCD ID:

BU5

Number of entries in BioLiP:

Chemical formula:

C11 H9 N3 O S

InChI:

InChI=1S/C11H9N3OS/c15-5-7-6-16-11(14-7)9-2-4-13-10-8(9)1-3-12-10/h1-4,6,15H,5H2,(H,12,13)

InChIKey:

DEQVBJXGQZCGGU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCc1csc(n1)c2ccnc3[nH]ccc23
OpenEye OEToolkits 2.0.6	c1c[nH]c2c1c(ccn2)c3nc(cs3)CO

Name:

[2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol

ChEMBL:

CHEMBL4446950

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).