BioLiP

PDB

BioLiP

PDB CCD ID:

A1E5J

Number of entries in BioLiP:

Chemical formula:

C19 H16 F N5 O2

InChI:

InChI=1S/C19H16FN5O2/c1-8-16-14(18-12(23-8)3-2-6-27-18)13(15(21)19(26)24-16)9-4-5-11(20)17-10(9)7-22-25-17/h4-5,7H,2-3,6,21H2,1H3,(H,22,25)(H,24,26)

InChIKey:

ODIVXMYGTZYNQI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1nc2CCCOc2c3c1NC(=O)C(=C3c4ccc(F)c5[nH]ncc45)N
OpenEye OEToolkits 2.0.7	Cc1c2c(c3c(n1)CCCO3)C(=C(C(=O)N2)N)c4ccc(c5c4cn[nH]5)F

Name:

9-azanyl-10-(7-fluoranyl-1H-indazol-4-yl)-6-methyl-2,3,4,7-tetrahydropyrano[2,3-f][1,7]naphthyridin-8-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).