BioLiP

PDB

BioLiP

PDB CCD ID:

2SC

Number of entries in BioLiP:

Chemical formula:

C19 H17 N5 O

InChI:

InChI=1S/C19H17N5O/c25-13-16-12-22-24-18(21-11-14-5-4-8-20-10-14)9-17(23-19(16)24)15-6-2-1-3-7-15/h1-10,12,21,25H,11,13H2

InChIKey:

RBLKWWBHDUBPFN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OCc1cnn2c(NCc3cccnc3)cc(nc12)c4ccccc4
ACDLabs 10.04	n1c(cc(n2ncc(c12)CO)NCc3cccnc3)c4ccccc4
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4

Name:

(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol

ChEMBL:

CHEMBL400520

DrugBank:

DB06983

ZINC:

ZINC000028958754

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).