BioLiP

PDB

BioLiP

PDB CCD ID:

2L5

Number of entries in BioLiP:

Chemical formula:

C9 H10 Cl N O2

InChI:

InChI=1S/C9H10ClNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1

InChIKey:

CVZZNRXMDCOHBG-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1ccccc1CC(C(=O)O)N
OpenEye OEToolkits 1.7.6	c1ccc(c(c1)CC(C(=O)O)N)Cl
CACTVS 3.385	N[CH](Cc1ccccc1Cl)C(O)=O
CACTVS 3.385	N[C@@H](Cc1ccccc1Cl)C(O)=O
OpenEye OEToolkits 1.7.6	c1ccc(c(c1)C[C@@H](C(=O)O)N)Cl

Name:

2-chloro-L-phenylalanine

ZINC:

ZINC000000402836

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).