BioLiP

PDB

BioLiP

PDB CCD ID:

JJR

Number of entries in BioLiP:

Chemical formula:

C18 H15 N5 O S

InChI:

InChI=1S/C18H15N5OS/c1-11-21-16(10-25-11)23-18-17-14(5-4-13(9-24)22-17)15(8-20-18)12-3-2-6-19-7-12/h2-8,10,24H,9H2,1H3,(H,20,23)

InChIKey:

BBZLVHAGWDSQFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1nc(Nc2ncc(c3cccnc3)c3ccc(CO)nc23)cs1
OpenEye OEToolkits 2.0.7	Cc1nc(cs1)Nc2c3c(ccc(n3)CO)c(cn2)c4cccnc4
CACTVS 3.385	Cc1scc(Nc2ncc(c3cccnc3)c4ccc(CO)nc24)n1

Name:

{8-[(2-methyl-1,3-thiazol-4-yl)amino]-5-(pyridin-3-yl)-1,7-naphthyridin-2-yl}methanol

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).