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BioLiP

PDB CCD ID: 00G
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N2 O
InChI: InChI=1S/C14H14N2O/c1-2-8-16(7-1)9-10-17-13-3-4-14-12(11-13)5-6-15-14/h1-8,11,15H,9-10H2
InChIKey: NSZDJRLPCLOQAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C(Cn1cccc1)Oc2ccc3[nH]ccc3c2
ACDLabs 10.04O(c1cc2c(cc1)ncc2)CCn3cccc3
OpenEye OEToolkits 1.5.0c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3
Name:5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
DrugBank: DB06828
ZINC: ZINC000039257800
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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