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BioLiP

PDB CCD ID: E93
Number of entries in BioLiP: 1
Chemical formula: C22 H24 N2 O2
InChI: InChI=1S/C22H24N2O2/c1-2-26-22(25)21-14-19-13-18(17-9-11-23-12-10-17)7-8-20(19)24(21)15-16-5-3-4-6-16/h7-14,16H,2-6,15H2,1H3
InChIKey: XLAIBBWMNVOQSY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCOC(=O)c1cc2cc(ccc2n1CC3CCCC3)c4ccncc4
Name:ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate
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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