BioLiP

PDB

BioLiP

PDB CCD ID:

83V

Number of entries in BioLiP:

Chemical formula:

C12 H17 N O2

InChI:

InChI=1S/C12H17NO2/c13-11(8-9-12(14)15)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9,13H2,(H,14,15)/t11-/m0/s1

InChIKey:

FXXGGVGRDTUZDT-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCC(CCC(=O)O)N
ACDLabs 12.01	O=C(O)CCC(N)CCc1ccccc1
CACTVS 3.385	N[CH](CCC(O)=O)CCc1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CC[C@@H](CCC(=O)O)N
CACTVS 3.385	N[C@H](CCC(O)=O)CCc1ccccc1

Name:

(4S)-4-amino-6-phenylhexanoic 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).