SEQ2FUN

BioLiP

PDB CCD ID: L12
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N2
InChI: InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2
InChIKey: UUEYCHLWAOBOHG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1ccc(cc1)CCc3c2ccccc2nc3
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CCc3ccncc3
CACTVS 3.341C(Cc1c[nH]c2ccccc12)c3ccncc3
Name:3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE;
INHIBITOR OF P38 KINASE
ChEMBL: CHEMBL193156
DrugBank: DB01953
ZINC: ZINC000000094256
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).