BioLiP

PDB

BioLiP

PDB CCD ID:

I7X

Number of entries in BioLiP:

Chemical formula:

C9 H14 N2 O2

InChI:

InChI=1S/C9H14N2O2/c12-9(13)4-2-1-3-6-11-7-5-10-8-11/h5,7-8H,1-4,6H2,(H,12,13)

InChIKey:

FTCIWLAWOWUQBL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cn(cn1)CCCCCC(=O)O
CACTVS 3.385	OC(=O)CCCCCn1ccnc1

Name:

6-imidazol-1-ylhexanoic acid

ChEMBL:

CHEMBL1195449

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).