SEQ2FUN

BioLiP

PDB CCD ID: F7F
Number of entries in BioLiP: 1
Chemical formula: C17 H21 N4 O10 P
InChI: InChI=1S/C17H21N4O10P/c1-7-3-9-10(4-8(7)2)21-17(31-21)14(18-16(26)19-15(17)25)20(9)5-11(22)13(24)12(23)6-30-32(27,28)29/h3-4,11-13,22-24H,5-6H2,1-2H3,(H,19,25,26)(H2,27,28,29)/t11-,12+,13-,17+,21+/m1/s1
InChIKey: SBINLJVNHAXUDP-YRTJRJKOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc2N(C[C@@H](O)[C@@H](O)[C@@H](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C@@]34ON4c2cc1C
OpenEye OEToolkits 2.0.7Cc1cc2c(cc1C)N3C4(O3)C(=O)NC(=O)N=C4N2CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 2.0.7Cc1cc2c(cc1C)N3[C@@]4(O3)C(=O)NC(=O)N=C4N2C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O
CACTVS 3.385Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)[C]34ON4c2cc1C
Name:3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
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).