BioLiP

PDB

BioLiP

PDB CCD ID:

ZCL

Number of entries in BioLiP:

Chemical formula:

C9 H9 Cl2 N O2

InChI:

InChI=1S/C9H9Cl2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1

InChIKey:

NRCSJHVDTAAISV-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl
OpenEye OEToolkits 1.7.0	c1cc(c(cc1CC(C(=O)O)N)Cl)Cl
ACDLabs 12.01	Clc1ccc(cc1Cl)CC(C(=O)O)N
CACTVS 3.370	N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(O)=O
CACTVS 3.370	N[CH](Cc1ccc(Cl)c(Cl)c1)C(O)=O

Name:

3,4-dichloro-L-phenylalanine

ChEMBL:

CHEMBL4866247

ZINC:

ZINC000001652104

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).