BioLiP

PDB

BioLiP

PDB CCD ID:

NPZ

Number of entries in BioLiP:

Chemical formula:

C16 H13 N5

InChI:

InChI=1S/C16H13N5/c1-21-16-13(15(17)18-9-19-16)14(20-21)12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H2,17,18,19)

InChIKey:

UOKGZPYGRJDACN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N
ACDLabs 10.04	n1c(c2c(nc1)n(nc2c4cc3ccccc3cc4)C)N
CACTVS 3.341	Cn1nc(c2ccc3ccccc3c2)c4c(N)ncnc14

Name:

1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

ChEMBL:

CHEMBL1234815

DrugBank:

DB08300

ZINC:

ZINC000020149030

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).