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BioLiP Library

PDB CCD ID: CZS
Number of entries in BioLiP: 0
Chemical formula: C10 H9 Cl N2 O2 S
InChI: InChI=1S/C10H9ClN2O2S/c11-5-1-2-7-8(3-5)16-9(13-7)4-6(12)10(14)15/h1-3,6H,4,12H2,(H,14,15)/t6-/m0/s1
InChIKey: KSSCXTPJNWLKBQ-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1Cl)sc(n2)C[C@@H](C(=O)O)N
CACTVS 3.385N[C@@H](Cc1sc2cc(Cl)ccc2n1)C(O)=O
ACDLabs 12.01NC(Cc2sc1cc(Cl)ccc1n2)C(=O)O
OpenEye OEToolkits 2.0.6c1cc2c(cc1Cl)sc(n2)CC(C(=O)O)N
CACTVS 3.385N[CH](Cc1sc2cc(Cl)ccc2n1)C(O)=O
Name:3-(6-chloro-1,3-benzothiazol-2-yl)-L-alanine
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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