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BioLiP

PDB CCD ID: KCJ
Number of entries in BioLiP: 0
Chemical formula: C6 H8 N2 O2 S
InChI: InChI=1S/C6H8N2O2S/c7-5(6(9)10)1-4-2-11-3-8-4/h2-3,5H,1,7H2,(H,9,10)/t5-/m0/s1
InChIKey: WBZIGVCQRXJYQD-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](Cc1cscn1)C(O)=O
ACDLabs 12.01c1scnc1CC(C(O)=O)N
OpenEye OEToolkits 2.0.6c1c(ncs1)CC(C(=O)O)N
OpenEye OEToolkits 2.0.6c1c(ncs1)C[C@@H](C(=O)O)N
CACTVS 3.385N[C@@H](Cc1cscn1)C(O)=O
Name:3-(1,3-thiazol-4-yl)-L-alanine
ZINC: ZINC000002568081
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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