BioLiP

PDB

BioLiP

PDB CCD ID:

H3N

Number of entries in BioLiP:

Chemical formula:

C23 H17 N3 O2

InChI:

InChI=1S/C23H17N3O2/c1-26-14-17(13-24-26)21-10-11-22-23(25-21)20(15-27-22)16-6-5-9-19(12-16)28-18-7-3-2-4-8-18/h2-15H,1H3

InChIKey:

RDHFKBABHOAOCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)Oc5ccccc5
CACTVS 3.385	Cn1cc(cn1)c2ccc3occ(c4cccc(Oc5ccccc5)c4)c3n2

Name:

5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine

ChEMBL:

CHEMBL4751637

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).