BioLiP

PDB

BioLiP

PDB CCD ID:

HO0

Number of entries in BioLiP:

Chemical formula:

C24 H23 N O3

InChI:

InChI=1S/C24H23NO3/c25-24(23(26)27)13-12-17-10-11-21(14-20(17)15-24)28-16-19-8-4-5-9-22(19)18-6-2-1-3-7-18/h1-11,14H,12-13,15-16,25H2,(H,26,27)/t24-/m0/s1

InChIKey:

WYFYXQDJHCIQGH-DEOSSOPVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@]1(CCc2ccc(OCc3ccccc3c4ccccc4)cc2C1)C(O)=O
CACTVS 3.385	N[C]1(CCc2ccc(OCc3ccccc3c4ccccc4)cc2C1)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccccc2COc3ccc4c(c3)C[C@@](CC4)(C(=O)O)N
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccccc2COc3ccc4c(c3)CC(CC4)(C(=O)O)N

Name:

(2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-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).