BioLiP

PDB

BioLiP

PDB CCD ID:

F9B

Number of entries in BioLiP:

Chemical formula:

C16 H21 N O4

InChI:

InChI=1S/C16H21NO4/c18-9-13(10-19)17-8-14(20)11-21-16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14,17-20H,8-11H2/t14-/m0/s1

InChIKey:

KRBDCALBFRZJTM-AWEZNQCLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O
CACTVS 3.385	OCC(CO)NC[CH](O)COc1cccc2ccccc12
CACTVS 3.385	OCC(CO)NC[C@H](O)COc1cccc2ccccc12
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)cccc2OCC(CNC(CO)CO)O

Name:

2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-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).