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BioLiP Library

PDB CCD ID: ZCL
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl
OpenEye OEToolkits 1.7.0c1cc(c(cc1CC(C(=O)O)N)Cl)Cl
ACDLabs 12.01Clc1ccc(cc1Cl)CC(C(=O)O)N
CACTVS 3.370N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(O)=O
CACTVS 3.370N[CH](Cc1ccc(Cl)c(Cl)c1)C(O)=O
Name:3,4-dichloro-L-phenylalanine
ChEMBL: CHEMBL4866247
ZINC: ZINC000001652104
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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