BioLiP

PDB

BioLiP

PDB CCD ID:

Q6P

Number of entries in BioLiP:

Chemical formula:

C11 H26 N2 O3

InChI:

InChI=1S/C11H26N2O3/c1-16-10-11(14,15)6-3-2-4-8-13-9-5-7-12/h13-15H,2-10,12H2,1H3

InChIKey:

ATZSVPANUKMESL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(CNCCCN)CCCC(COC)(O)O
OpenEye OEToolkits 2.0.7	COCC(CCCCCNCCCN)(O)O
CACTVS 3.385	COCC(O)(O)CCCCCNCCCN

Name:

7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol

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).