BioLiP

PDB

BioLiP

PDB CCD ID:

SCX

Number of entries in BioLiP:

Chemical formula:

C19 H17 F2 N7

InChI:

InChI=1S/C19H17F2N7/c1-2-12-10-26-28-16(23-7-11-8-24-19(22)25-9-11)6-15(27-18(12)28)17-13(20)4-3-5-14(17)21/h3-6,8-10,23H,2,7H2,1H3,(H2,22,24,25)

InChIKey:

HQPVGVSQPQVZLD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Fc4cccc(F)c4c1nc3c(cnn3c(c1)NCc2cnc(nc2)N)CC
CACTVS 3.341	CCc1cnn2c(NCc3cnc(N)nc3)cc(nc12)c4c(F)cccc4F
OpenEye OEToolkits 1.5.0	CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F

Name:

N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine

DrugBank:

DB08538

ZINC:

ZINC000033295984

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).