SEQ2FUN

BioLiP

PDB CCD ID: RQ1
Number of entries in BioLiP: 2
Chemical formula: C22 H21 N3 O3
InChI: InChI=1S/C22H21N3O3/c26-22(27)19-15-24-25(17-9-2-1-3-10-17)21(19)28-13-7-6-8-16-14-23-20-12-5-4-11-18(16)20/h1-5,9-12,14-15,23H,6-8,13H2,(H,26,27)
InChIKey: AETXYNJTNADCGV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c4c3cccc4
CACTVS 3.385OC(=O)c1cnn(c2ccccc2)c1OCCCCc3c[nH]c4ccccc34
ACDLabs 12.01c1cccc(c1)n2c(c(C(O)=O)cn2)OCCCCc4c3ccccc3nc4
Name:5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid
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).