SEQ2FUN

BioLiP

PDB CCD ID: WV2
Number of entries in BioLiP: 4
Chemical formula: C24 H26 N4 O3 S
InChI: InChI=1S/C24H26N4O3S/c29-24(28-15-13-27(14-16-28)17-18-6-7-18)20-8-10-21(11-9-20)26-32(30,31)22-5-1-3-19-4-2-12-25-23(19)22/h1-5,8-12,18,26H,6-7,13-17H2
InChIKey: XAYGBKHKBBXDAK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)CC5CC5
CACTVS 3.385O=C(N1CCN(CC1)CC2CC2)c3ccc(N[S](=O)(=O)c4cccc5cccnc45)cc3
ACDLabs 12.01O=S(=O)(Nc1ccc(cc1)C(=O)N1CCN(CC2CC2)CC1)c1cccc2cccnc21
Name:mitapivat;
N-{4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]phenyl}quinoline-8-sulfonamide
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).