SEQ2FUN

BioLiP

PDB CCD ID: SBC
Number of entries in BioLiP: 2
Chemical formula: C15 H12 N6 O3 S
InChI: InChI=1S/C15H12N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-7H,(H2,16,22)(H,18,19)(H2,17,23,24)
InChIKey: HGAKLLFPOGATII-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=O)c1nn(c2ccc(cc2)[S](N)(=O)=O)c3c4cn[nH]c4ccc13
OpenEye OEToolkits 1.5.0c1cc(ccc1n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N)S(=O)(=O)N
ACDLabs 10.04O=S(=O)(N)c1ccc(cc1)n4nc(c3c4c2cnnc2cc3)C(=O)N
Name:1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE;
1-(4-SULFAMOYL-PHENYL)-1,4,5,6-TETRAHYDRO-BENZO-DIPYRAZOLE-3-CARBOXYLIC ACID AMIDE
ChEMBL: CHEMBL360520
DrugBank: DB08527
ZINC: ZINC000014945777
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).