BioLiP

PDB

BioLiP

PDB CCD ID:

ES0

Number of entries in BioLiP:

Chemical formula:

C7 H7 N3 O

InChI:

InChI=1S/C7H7N3O/c8-7-9-4-2-1-3-5(11)6(4)10-7/h1-3,11H,(H3,8,9,10)

InChIKey:

BBSYMXYQDPASMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	Nc1[nH]c2c(O)cccc2n1
OpenEye OEToolkits 1.7.0	c1cc2c(c(c1)O)[nH]c(n2)N

Name:

2-amino-1H-benzimidazol-7-ol

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).