BioLiP

PDB

BioLiP

PDB CCD ID:

N6J

Number of entries in BioLiP:

Chemical formula:

C16 H15 N7 O2

InChI:

InChI=1S/C16H15N7O2/c1-11-6-14(21-25-11)20-16(24)19-12-7-17-23(9-12)10-13-8-22-5-3-2-4-15(22)18-13/h2-9H,10H2,1H3,(H2,19,20,21,24)

InChIKey:

BKMWCTDITJZRHD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3
ACDLabs 12.01	N(c3cnn(Cc2cn1ccccc1n2)c3)C(Nc4cc(C)on4)=O
CACTVS 3.385	Cc1onc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3)c2)c1

Name:

N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea

ZINC:

ZINC000058202764

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).