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BioLiP Library

PDB CCD ID: B0M
Number of entries in BioLiP: 3
Chemical formula: C14 H17 N3 O
InChI: InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)12-3-2-11-4-5-15-13(11)10-12/h2-5,10,15H,6-9H2,1H3
InChIKey: RQGONLHJHLGBII-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CN1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2
Name:1~{H}-indol-6-yl-(4-methylpiperazin-1-yl)methanone
ZINC: ZINC000001501734
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)(download the PDF file).
  • 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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