BioLiP

PDB

BioLiP

PDB CCD ID:

A1H0W

Number of entries in BioLiP:

Chemical formula:

C9 H11 N5 O

InChI:

InChI=1S/C9H11N5O/c1-15-5-2-3-6-7(4-5)13-9(12-6)14-8(10)11/h2-4H,1H3,(H5,10,11,12,13,14)

InChIKey:

UNAQOMVIYOSKDN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc2c(c1)nc([nH]2)NC(=N)N
CACTVS 3.385	COc1ccc2[nH]c(NC(N)=N)nc2c1
OpenEye OEToolkits 2.0.7	[H]/N=C(\N)/Nc1[nH]c2ccc(cc2n1)OC

Name:

1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine;
O-PHOSPHONO-D-THREONINE

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).