BioLiP

PDB

BioLiP

PDB CCD ID:

8D7

Number of entries in BioLiP:

Chemical formula:

C17 H29 N O2

InChI:

InChI=1S/C17H29NO2/c1-3-6-14(7-4-2)13-20-16-9-5-8-15(12-16)17(19)10-11-18/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13,18H2,1-2H3/t17-/m1/s1

InChIKey:

LNRJYZXFMPBCCV-QGZVFWFLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCCC(CCC)COc1cccc(c1)[C@@H](CCN)O
CACTVS 3.385	CCCC(CCC)COc1cccc(c1)[C@H](O)CCN
ACDLabs 12.01	c1c(cccc1C(O)CCN)OCC(CCC)CCC
OpenEye OEToolkits 2.0.6	CCCC(CCC)COc1cccc(c1)C(CCN)O
CACTVS 3.385	CCCC(CCC)COc1cccc(c1)[CH](O)CCN

Name:

(1R)-3-amino-1-{3-[(2-propylpentyl)oxy]phenyl}propan-1-ol

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).