BioLiP

PDB

BioLiP

PDB CCD ID:

AZQ

Number of entries in BioLiP:

Chemical formula:

C16 H20 N4 O2

InChI:

InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3/t11-/m0/s1

InChIKey:

MPHPHYZQRGLTBO-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C
CACTVS 3.385	CCC[CH]1C(=O)N2N(C1=O)C(=Nc3ccc(C)cc23)N(C)C
CACTVS 3.385	CCC[C@H]1C(=O)N2N(C1=O)C(=Nc3ccc(C)cc23)N(C)C

Name:

AZAPROPAZONE

ZINC:

ZINC000002019585

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).