BioLiP

PDB

BioLiP

PDB CCD ID:

QF0

Number of entries in BioLiP:

Chemical formula:

C14 H15 N O2

InChI:

InChI=1S/C14H15NO2/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,15H2,(H,16,17)/t13-/m0/s1

InChIKey:

WSVMIVFELRCSPA-ZDUSSCGKSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)CC(N)Cc1ccc2ccccc2c1
OpenEye OEToolkits 2.0.7	c1ccc2cc(ccc2c1)CC(CC(=O)O)N
OpenEye OEToolkits 2.0.7	c1ccc2cc(ccc2c1)C[C@@H](CC(=O)O)N
CACTVS 3.385	N[C@H](CC(O)=O)Cc1ccc2ccccc2c1
CACTVS 3.385	N[CH](CC(O)=O)Cc1ccc2ccccc2c1

Name:

(3S)-3-amino-4-(naphthalen-2-yl)butanoic acid

ZINC:

ZINC000002385964

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).