BioLiP

PDB

BioLiP

PDB CCD ID:

8ZJ

Number of entries in BioLiP:

Chemical formula:

C15 H13 N3 O2

InChI:

InChI=1S/C15H13N3O2/c1-16-15(20)11-7-8-18-13(19)9-12(17-14(11)18)10-5-3-2-4-6-10/h2-9,19H,1H3,(H,16,20)

InChIKey:

AAXXCVSAFRNQEF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c3c(c2cc(O)n1c(c(cc1)C(NC)=O)n2)cccc3
OpenEye OEToolkits 2.0.6	CNC(=O)c1ccn2c1nc(cc2O)c3ccccc3
CACTVS 3.385	CNC(=O)c1ccn2c(O)cc(nc12)c3ccccc3

Name:

4-hydroxy-N-methyl-2-phenylpyrrolo[1,2-a]pyrimidine-8-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).