BioLiP

PDB

BioLiP

PDB CCD ID:

M5W

Number of entries in BioLiP:

Chemical formula:

C15 H20 N4 O2

InChI:

InChI=1S/C15H20N4O2/c1-15(2,3)19-13(16)11(14(17)20)12(18-19)9-6-5-7-10(8-9)21-4/h5-8H,16H2,1-4H3,(H2,17,20)

InChIKey:

QDGDUSBCURLURJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cccc(c1)c2nn(c(N)c2C(N)=O)C(C)(C)C
OpenEye OEToolkits 2.0.7	CC(C)(C)n1c(c(c(n1)c2cccc(c2)OC)C(=O)N)N

Name:

5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide

ChEMBL:

CHEMBL4440460

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).