BioLiP

PDB

BioLiP

PDB CCD ID:

FCZ

Number of entries in BioLiP:

Chemical formula:

C16 H17 N7 O

InChI:

InChI=1S/C16H17N7O/c1-7(2)23-14-12(8(3)19-15(17)21-14)13(22-23)9-4-5-11-10(6-9)20-16(18)24-11/h4-7H,1-3H3,(H2,18,20)(H2,17,19,21)

InChIKey:

LGAJJTHJWVAHRF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(C)nc(N)nc14
OpenEye OEToolkits 2.0.6	Cc1c2c(nn(c2nc(n1)N)C(C)C)c3ccc4c(c3)nc(o4)N

Name:

5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine

ChEMBL:

CHEMBL4475845

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).