BioLiP

PDB

BioLiP

PDB CCD ID:

FPH

Number of entries in BioLiP:

Chemical formula:

C18 H12 F N3 O

InChI:

InChI=1S/C18H12FN3O/c19-14-5-3-12(4-6-14)16-17-15(2-1-9-21-17)22(23)18(16)13-7-10-20-11-8-13/h1-11,23H

InChIKey:

ZSMYZLKEZDYVPI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	On1c2cccnc2c(c3ccc(F)cc3)c1c4ccncc4
OpenEye OEToolkits 1.5.0	c1cc2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1
ACDLabs 10.04	Fc4ccc(c2c1ncccc1n(O)c2c3ccncc3)cc4

Name:

3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL;
3-(4-FLUOROPHENYL)-1-HYDROXY-2-(PYRIDIN-4-YL)-1H-PYRROLO[3,2-B]PYRIDINE

DrugBank:

DB02195

ZINC:

ZINC000012501714

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).