BioLiP

PDB

BioLiP

PDB CCD ID:

4LJ

Number of entries in BioLiP:

Chemical formula:

C3 H8 Br N

InChI:

InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2

InChIKey:

ZTGQZSKPSJUEBU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CN)CBr
CACTVS 3.385	NCCCBr

Name:

1.7.6 3-bromanylpropan-1-amine

ZINC:

ZINC000001719021

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).