BioLiP

PDB

BioLiP

PDB CCD ID:

YK9

Number of entries in BioLiP:

Chemical formula:

C19 H11 N3 O

InChI:

InChI=1S/C19H11N3O/c23-18-12-5-2-1-4-11(12)17-13(18)6-3-7-14(17)19-21-15-8-9-20-10-16(15)22-19/h1-10H,(H,21,22)

InChIKey:

MAPDUHHTXROZLC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C4c3cccc(c2nc1cnccc1n2)c3c5ccccc45
OpenEye OEToolkits 1.7.2	c1ccc2c(c1)-c3c(cccc3C2=O)c4[nH]c5ccncc5n4
CACTVS 3.370	O=C1c2ccccc2c3c(cccc13)c4[nH]c5ccncc5n4

Name:

4-(1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)FLUOREN-9-ONE

ChEMBL:

CHEMBL1917725

ZINC:

ZINC000073196873

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).