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BioLiP

PDB CCD ID: XAA
Number of entries in BioLiP: 0
Chemical formula: C6 H10 N2 O S
InChI: InChI=1S/C6H10N2OS/c1-4(9)5(7)6-8-2-3-10-6/h2-5,9H,7H2,1H3/t4-,5+/m1/s1
InChIKey: QWDNYLFSFTUIKH-UHNVWZDZSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OC(C(N)c1nccs1)C
OpenEye OEToolkits 1.5.0CC(C(c1nccs1)N)O
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](c1nccs1)N)O
CACTVS 3.341C[CH](O)[CH](N)c1sccn1
CACTVS 3.341C[C@@H](O)[C@H](N)c1sccn1
Name:(1S,2S)-1-AMINO-1-(1,3-THIAZOL-2-YL)PROPAN-2-OL
DrugBank: DB03724
ZINC: ZINC000031976670
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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