BioLiP

PDB

BioLiP

PDB CCD ID:

HLR

Number of entries in BioLiP:

Chemical formula:

C7 H6 N2 O

InChI:

InChI=1S/C7H6N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)

InChIKey:

NLMVYUBGWZWUGB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1noc2ccccc12
ACDLabs 12.01	n2oc1ccccc1c2N
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)c(no2)N

Name:

1,2-benzoxazol-3-amine

ZINC:

ZINC000000161908

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).