BioLiP

PDB

BioLiP

PDB CCD ID:

B24

Number of entries in BioLiP:

Chemical formula:

C6 H10 B N

InChI:

InChI=1S/C6H10BN/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey:

CXNLOBXKEIGPFX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	B1C=CC=CN1CC
CACTVS 3.341	CCN1BC=CC=C1

Name:

1-ethyl-1,2-dihydro-1,2-azaborinine;
1-ETHYL-2-HYDRO-1,2-AZABORINE

ZINC:

ZINC000198032079

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).