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BioLiP Library

PDB CCD ID: C22
Number of entries in BioLiP: 0
Chemical formula: C3 H6 Cl N O2
InChI: InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1
InChIKey: ASBJGPTTYPEMLP-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)Cl
CACTVS 3.370N[C@@H](CCl)C(O)=O
ACDLabs 12.01ClCC(N)C(=O)O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)Cl
CACTVS 3.370N[CH](CCl)C(O)=O
Name:3-chloro-L-alanine
ChEMBL: CHEMBL51989
ZINC: ZINC000001529480
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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