BioLiP

PDB

BioLiP

PDB CCD ID:

6OQ

Number of entries in BioLiP:

Chemical formula:

C6 H10 B N

InChI:

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

InChIKey:

LWNVLMFFYVOFEQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	B1(C=CC=CN1)CC
ACDLabs 12.01 CACTVS 3.385	CCB1NC=CC=C1

Name:

2-ethyl-1,2-dihydro-1,2-azaborinine

ZINC:

ZINC000584904740

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).