SEQ2FUN

BioLiP

PDB CCD ID: L19
Number of entries in BioLiP: 1
Chemical formula: C26 H24 N2 O3
InChI: InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30)
InChIKey: XQDGPJKJSHQJFB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5
CACTVS 3.385COc1cnccc1c2c3cc(ccc3n(CCC(O)=O)c2c4ccccc4)C5CC5
ACDLabs 12.01O=C(O)CCn1c5c(c(c1c2ccccc2)c3c(cncc3)OC)cc(C4CC4)cc5
Name:3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl]propanoic acid
ChEMBL: CHEMBL3813892
ZINC: ZINC000211275802
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).