BioLiP

PDB

BioLiP

PDB CCD ID:

7ZM

Number of entries in BioLiP:

Chemical formula:

C15 H13 N5 O2

InChI:

InChI=1S/C15H13N5O2/c16-13-7-6-10(8-17-13)19-14(21)12-9-18-20(15(12)22)11-4-2-1-3-5-11/h1-9,22H,(H2,16,17)(H,19,21)

InChIKey:

XRMPIZHDSBHDCD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccc(NC(=O)c2cnn(c2O)c3ccccc3)cn1
OpenEye OEToolkits 2.0.6	c1ccc(cc1)n2c(c(cn2)C(=O)Nc3ccc(nc3)N)O

Name:

N-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide

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).