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BioLiP

PDB CCD ID: HA3
Number of entries in BioLiP: 5
Chemical formula: C18 H16 N4 O3 S
InChI: InChI=1S/C18H16N4O3S/c23-17(20-25)14-6-7-15(26-14)18(24)21-8-9-22-13(10-19-16(22)11-21)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,23)
InChIKey: SMSIXMLQOONOQQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(=O)NO
CACTVS 3.341ONC(=O)c1sc(cc1)C(=O)N2CCn3c(C2)ncc3c4ccccc4
ACDLabs 10.04O=C(c1sc(C(=O)NO)cc1)N4Cc3ncc(c2ccccc2)n3CC4
Name:N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide
DrugBank: DB07879
ZINC: ZINC000016052633
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).
  • 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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