BioLiP

PDB

BioLiP

PDB CCD ID:

A1L3Q

Number of entries in BioLiP:

Chemical formula:

C17 H25 N O2

InChI:

InChI=1S/C17H25NO2/c1-5-16-12(4)13-9-8-10-14(17(13)20-16)15(11-19)18(6-2)7-3/h8-10,15,19H,5-7,11H2,1-4H3/t15-/m0/s1

InChIKey:

FXNNNICQCLNEPG-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCc1c(c2cccc(c2o1)C(CO)N(CC)CC)C
OpenEye OEToolkits 2.0.7	CCc1c(c2cccc(c2o1)[C@H](CO)N(CC)CC)C
CACTVS 3.385	CCN(CC)[C@@H](CO)c1cccc2c(C)c(CC)oc12
CACTVS 3.385	CCN(CC)[CH](CO)c1cccc2c(C)c(CC)oc12

Name:

CpY;
(2~{R})-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol

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).