BioLiP

PDB

BioLiP

PDB CCD ID:

FPR

Number of entries in BioLiP:

Chemical formula:

C13 H17 N O3

InChI:

InChI=1S/C13H17NO3/c14-11(9-13(16)17)12(15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,16,17)/t11-/m0/s1

InChIKey:

QYEQYTJKGDCZPC-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CCCC(=O)[C@H](CC(=O)O)N
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CCCC(=O)C(CC(=O)O)N
CACTVS 3.370	N[CH](CC(O)=O)C(=O)CCCc1ccccc1
CACTVS 3.370	N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1
ACDLabs 12.01	O=C(O)CC(N)C(=O)CCCc1ccccc1

Name:

(3S)-3-amino-4-oxo-7-phenylheptanoic acid

ZINC:

ZINC000098208898

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).