SEQ2FUN

BioLiP

PDB CCD ID: UMZ
Number of entries in BioLiP: 1
Chemical formula: C14 H13 N3
InChI: InChI=1S/C14H13N3/c1-2-4-14-13(3-1)11(9-16-14)5-6-12-7-8-15-10-17-12/h1-4,7-10,16H,5-6H2
InChIKey: VEEXILNZSSXTHF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)CCc3ccncn3
CACTVS 3.385C(Cc1c[nH]c2ccccc12)c3ccncn3
Name:3-(2-pyrimidin-4-ylethyl)-1~{H}-indole
ChEMBL: CHEMBL195634
ZINC: ZINC000012365460

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).