BioLiP

PDB

BioLiP

PDB CCD ID:

B7L

Number of entries in BioLiP:

Chemical formula:

C17 H12 N4 O4

InChI:

InChI=1S/C17H12N4O4/c22-16(13-9-20-21-6-2-5-18-15(13)21)19-8-11-7-10-3-1-4-12(17(23)24)14(10)25-11/h1-7,9H,8H2,(H,19,22)(H,23,24)

InChIKey:

BICDHWPHEXMVAT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2cc(oc2c(c1)C(=O)O)CNC(=O)c3cnn4c3nccc4
CACTVS 3.385	OC(=O)c1cccc2cc(CNC(=O)c3cnn4cccnc34)oc12
ACDLabs 12.01	O=C(O)c1cccc2cc(CNC(=O)c3cnn4cccnc43)oc12

Name:

2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid

ChEMBL:

CHEMBL5089143

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).