BioLiP

PDB

BioLiP

PDB CCD ID:

A3Q

Number of entries in BioLiP:

Chemical formula:

C14 H9 N3 O

InChI:

InChI=1S/C14H9N3O/c15-7-10-8-17-14-13(10)12(4-5-16-14)9-2-1-3-11(18)6-9/h1-6,8,18H,(H,16,17)

InChIKey:

NSJGIUMXLVXGPU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N
CACTVS 3.385	Oc1cccc(c1)c2ccnc3[nH]cc(C#N)c23

Name:

4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile

ChEMBL:

CHEMBL4068861

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).