SEQ2FUN

BioLiP

PDB CCD ID: QWB
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N3
InChI: InChI=1S/C12H11N3/c1-2-4-12-11(3-1)10(7-14-12)8-15-6-5-13-9-15/h1-7,9,14H,8H2
InChIKey: FRADTKAUXQUOIJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C(n1ccnc1)c2c[nH]c3ccccc23
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)Cn3ccnc3
Name:3-(imidazol-1-ylmethyl)-1~{H}-indole;
Cpd1
ChEMBL: CHEMBL116794
ZINC: ZINC000000293947
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).