BioLiP

PDB

BioLiP

PDB CCD ID:

K7L

Number of entries in BioLiP:

Chemical formula:

C6 H5 N3 O2

InChI:

InChI=1S/C6H5N3O2/c10-4-3-5(11)9-2-1-7-6(9)8-4/h1-3,11H,(H,7,8,10)

InChIKey:

BELWUABPSOOYPK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Oc1nc2nccn2c(O)c1
OpenEye OEToolkits 2.0.7	c1cn2c(cc(nc2n1)O)O
CACTVS 3.385	Oc1cc(O)n2ccnc2n1

Name:

(4S)-imidazo[1,2-a]pyrimidine-5,7-diol

ZINC:

ZINC000100006169

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).