BioLiP

PDB

BioLiP

PDB CCD ID:

PH8

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O2

InChI:

InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m0/s1

InChIKey:

XOQZTHUXZWQXOK-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CCC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CCCC(C(=O)O)N
CACTVS 3.385	N[CH](CCCc1ccccc1)C(O)=O
CACTVS 3.385	N[C@@H](CCCc1ccccc1)C(O)=O
ACDLabs 12.01	C(O)(=O)C(N)CCCc1ccccc1

Name:

5-phenyl-L-norvaline

ChEMBL:

CHEMBL4071657

ZINC:

ZINC000001570983

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).