BioLiP

PDB

BioLiP

PDB CCD ID:

QMG

Number of entries in BioLiP:

Chemical formula:

C20 H19 N3 O2

InChI:

InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25)

InChIKey:

RPBMXJHQYJLPDN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4
ACDLabs 12.01	C1C(C1)NC(c4ccc(C)c(c2cc(C(C)=O)n3c2nccc3)c4)=O
CACTVS 3.385	CC(=O)c1cc(c2ncccn12)c3cc(ccc3C)C(=O)NC4CC4

Name:

3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide

ChEMBL:

CHEMBL4065619

ZINC:

ZINC000585672941

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).