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BioLiP

PDB CCD ID: WN0
Number of entries in BioLiP: 1
Chemical formula: C17 H21 N5
InChI: InChI=1S/C17H21N5/c1-2-4-9-15-13(7-3-1)14-8-5-6-10-16(14)22(15)12-11-17-18-20-21-19-17/h5-6,8,10H,1-4,7,9,11-12H2,(H,18,19,20,21)
InChIKey: QEVXJPWIJNREIX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1CCCc2c(CC1)n(CCc3[nH]nnn3)c4ccccc24
ACDLabs 12.01C(Cc1nnn[NH]1)n1c2CCCCCCc2c2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c3c(n2CCc4[nH]nnn4)CCCCCC3
Name:5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]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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