BioLiP

PDB

BioLiP

PDB CCD ID:

MZZ

Number of entries in BioLiP:

Chemical formula:

C10 H9 N3 O

InChI:

InChI=1S/C10H9N3O/c11-9-3-1-8(2-4-9)10(14)13-6-5-12-7-13/h1-7H,11H2

InChIKey:

HFAQMYBPGXYUBH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	Nc1ccc(cc1)C(=O)n2ccnc2
ACDLabs 12.01	O=C(c1ccc(N)cc1)n2ccnc2
OpenEye OEToolkits 1.7.2	c1cc(ccc1C(=O)n2ccnc2)N

Name:

(4-aminophenyl)-imidazol-1-yl-methanone

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).