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BioLiP

PDB CCD ID: I6Y
Number of entries in BioLiP: 3
Chemical formula: C19 H22 N4
InChI: InChI=1S/C19H22N4/c1-2-19-18(15-17(1)16-3-6-20-7-4-16)5-10-23(19)14-13-22-11-8-21-9-12-22/h1-7,10,15,21H,8-9,11-14H2
InChIKey: VBMJJJLARMSVGX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(ccn2CCN3CCNCC3)cc1c4ccncc4
CACTVS 3.385C1CN(CCN1)CCn2ccc3cc(ccc23)c4ccncc4
Name:1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole
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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