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BioLiP

PDB CCD ID: 9UL
Number of entries in BioLiP: 11
Chemical formula: C13 H14 N2
InChI: InChI=1S/C13H14N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9H,4,7-8H2,1H3/b13-11+
InChIKey: HNNADWWHLOZSTI-ACCUITESSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1CCCC1=C2C=Nc3c2cccc3
CACTVS 3.385CN\1CCCC\1=C\2C=Nc3ccccc\23
OpenEye OEToolkits 2.0.6CN\1CCC/C1=C\2/C=Nc3c2cccc3
CACTVS 3.385CN1CCCC1=C2C=Nc3ccccc23
Name:(3~{Z})-3-(1-methylpyrrolidin-2-ylidene)indole
ZINC: ZINC000101922312
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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