BioLiP

PDB

BioLiP

PDB CCD ID:

DZO

Number of entries in BioLiP:

Chemical formula:

C18 H14 Cl N5

InChI:

InChI=1S/C18H14ClN5/c19-13-4-2-6-15(10-13)22-17-7-8-24-18(23-17)16(11-21-24)12-3-1-5-14(20)9-12/h1-11H,20H2,(H,22,23)

InChIKey:

JDNMRPIWJIDDAY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Nc1cccc(c1)c2cnn3ccc(Nc4cccc(Cl)c4)nc23
ACDLabs 10.04	Clc1cccc(c1)Nc2nc3c(cnn3cc2)c4cccc(N)c4
OpenEye OEToolkits 1.5.0	c1cc(cc(c1)N)c2cnn3c2nc(cc3)Nc4cccc(c4)Cl

Name:

3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-amine

DrugBank:

DB07698

ZINC:

ZINC000033943533

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).