BioLiP

PDB

BioLiP

PDB CCD ID:

UG4

Number of entries in BioLiP:

Chemical formula:

C9 H9 N5 O

InChI:

InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-2-1-3-12-4-6/h1-5H,10H2,(H2,11,15)

InChIKey:

WZVCHXNAUQIDJM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cnc1)n2cnc(c2N)C(=O)N
ACDLabs 12.01	c1(cccnc1)n2c(c(nc2)C(N)=O)N
CACTVS 3.385	NC(=O)c1ncn(c2cccnc2)c1N

Name:

5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide

ZINC:

ZINC000098209728

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).