BioLiP

PDB

BioLiP

PDB CCD ID:

YN8

Number of entries in BioLiP:

Chemical formula:

C19 H14 Cl F N4 O

InChI:

InChI=1S/C19H14ClFN4O/c1-24-9-12-11-7-14(21)13(20)8-16(11)25(19(26)18(12)23-24)15-3-2-6-22-17(15)10-4-5-10/h2-3,6-10H,4-5H2,1H3

InChIKey:

LJPOSFHRBZRBMV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1cc2c3cc(F)c(Cl)cc3N(C(=O)c2n1)c4cccnc4C5CC5
OpenEye OEToolkits 2.0.7	Cn1cc-2c(n1)C(=O)N(c3c2cc(c(c3)Cl)F)c4cccnc4C5CC5

Name:

7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one

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).