SEQ2FUN

BioLiP

PDB CCD ID: A1B01
Number of entries in BioLiP: 1
Chemical formula: C14 H15 N3 O2
InChI: InChI=1S/C14H15N3O2/c18-14(15-7-5-12-9-19-10-16-12)17-8-6-11-3-1-2-4-13(11)17/h1-4,9-10H,5-8H2,(H,15,18)
InChIKey: CFBYKVAFAXYDRK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc2c(c1)CCN2C(=O)NCCc3cocn3
CACTVS 3.385O=C(NCCc1cocn1)N2CCc3ccccc23
ACDLabs 14.52O=C(NCCc1cocn1)N1CCc2ccccc21
Name:N-[2-(1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-1-carboxamide
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).