BioLiP

PDB

BioLiP

PDB CCD ID:

SCZ

Number of entries in BioLiP:

Chemical formula:

C21 H19 N5

InChI:

InChI=1S/C21H19N5/c1-2-6-17(7-3-1)19-11-20(23-13-15-5-4-10-22-12-15)26-21(25-19)18(14-24-26)16-8-9-16/h1-7,10-12,14,16,23H,8-9,13H2

InChIKey:

CCDIUVLNHCGSMH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cccnc5
CACTVS 3.341	C1CC1c2cnn3c(NCc4cccnc4)cc(nc23)c5ccccc5
ACDLabs 10.04	n1c(cc(n2ncc(c12)C3CC3)NCc4cccnc4)c5ccccc5

Name:

3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

ChEMBL:

CHEMBL249736

DrugBank:

DB08539

ZINC:

ZINC000028958727

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).