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BioLiP

PDB CCD ID: XF5
Number of entries in BioLiP: 2
Chemical formula: C12 H15 N3
InChI: InChI=1S/C12H15N3/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15/h1-5,13-14H,6-9H2
InChIKey: YZKSXUIOKWQABW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2c1c(cccc1nc2)N3CCNCC3
CACTVS 3.385C1CN(CCN1)c2cccc3[nH]ccc23
OpenEye OEToolkits 1.9.2c1cc2c(cc[nH]2)c(c1)N3CCNCC3
Name:4-(PIPERAZIN-1-YL)-1H-INDOLE
ChEMBL: CHEMBL200234
ZINC: ZINC000004639456
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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