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BioLiP

PDB CCD ID: NZ0
Number of entries in BioLiP: 2
Chemical formula: C13 H12 N6 O3 S
InChI: InChI=1S/C13H12N6O3S/c14-23(21,22)13-11(12-16-18-19-17-12)10(5-6-15-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19)
InChIKey: ZLLPEJMJTQBWDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1nccc(c2ccc(CO)cc2)c1c3n[nH]nn3
OpenEye OEToolkits 2.0.7c1cc(ccc1CO)c2ccnc(c2c3n[nH]nn3)S(=O)(=O)N
ACDLabs 12.01OCc1ccc(cc1)c1ccnc(c1c1n[NH]nn1)S(N)(=O)=O
Name:(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
ChEMBL: CHEMBL5279683
ZINC: ZINC000584629571
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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