BioLiP

PDB

BioLiP

PDB CCD ID:

CZ5

Number of entries in BioLiP:

Chemical formula:

C17 H17 N7 O2

InChI:

InChI=1S/C17H17N7O2/c1-2-19-17(26)23-15-9-14(24-8-4-7-21-24)13(11-20-15)16(25)22-12-5-3-6-18-10-12/h3-11H,2H2,1H3,(H,22,25)(H2,19,20,23,26)

InChIKey:

JCTRAYIUGCXVJI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cccn3
CACTVS 3.385	CCNC(=O)Nc1cc(n2cccn2)c(cn1)C(=O)Nc3cccnc3

Name:

6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide

ChEMBL:

CHEMBL4459270

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).