BioLiP

PDB

BioLiP

PDB CCD ID:

A1ESE

Number of entries in BioLiP:

Chemical formula:

C16 H25 N O

InChI:

InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1

InChIKey:

ASXGJMSKWNBENU-CQSZACIVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCN(CCC)[C@@H]1CCc2cccc(c2C1)O
OpenEye OEToolkits 2.0.7	CCCN(CCC)C1CCc2cccc(c2C1)O
CACTVS 3.385	CCCN(CCC)[CH]1CCc2cccc(O)c2C1
CACTVS 3.385	CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1

Name:

(7~{R})-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

ChEMBL:

CHEMBL26998

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).