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BioLiP

PDB CCD ID: TZB
Number of entries in BioLiP: 0
Chemical formula: C7 H10 N2 O2 S
InChI: InChI=1S/C7H10N2O2S/c1-2-4(8)6-9-5(3-12-6)7(10)11/h2,5H,3,8H2,1H3,(H,10,11)/b4-2-/t5-/m1/s1
InChIKey: FDEYZMSECWCRCN-DWFCDSDJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C\C=C(\C1=N[C@H](CS1)C(=O)O)/N
CACTVS 3.341CC=C(N)C1=N[CH](CS1)C(O)=O
OpenEye OEToolkits 1.5.0CC=C(C1=NC(CS1)C(=O)O)N
CACTVS 3.341C\C=C(/N)C1=N[C@H](CS1)C(O)=O
ACDLabs 10.04O=C(O)C1N=C(SC1)C(\N)=C\C
Name:(4S)-2-[(1E)-1-AMINOPROP-1-ENYL]-4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID
DrugBank: DB02940
ZINC: ZINC000100032679
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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