BioLiP

PDB

BioLiP

PDB CCD ID:

HNX

Number of entries in BioLiP:

Chemical formula:

C22 H21 N O3

InChI:

InChI=1S/C22H21NO3/c23-22(21(24)25)11-10-15-8-9-19(12-18(15)13-22)26-14-17-6-3-5-16-4-1-2-7-20(16)17/h1-9,12H,10-11,13-14,23H2,(H,24,25)/t22-/m0/s1

InChIKey:

HRZHVSYWPDDNHF-QFIPXVFZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cccc2COc3ccc4c(c3)CC(CC4)(C(=O)O)N
CACTVS 3.385	N[C@]1(CCc2ccc(OCc3cccc4ccccc34)cc2C1)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N
CACTVS 3.385	N[C]1(CCc2ccc(OCc3cccc4ccccc34)cc2C1)C(O)=O

Name:

(2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid

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).