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BioLiP

PDB CCD ID: P2R
Number of entries in BioLiP: 1
Chemical formula: C25 H26 N4 O2
InChI: InChI=1S/C25H26N4O2/c26-24-10-8-17-6-5-16(13-21(17)28-24)15-27-25(31)18-7-9-23-20(14-18)19-3-1-2-4-22(19)29(23)11-12-30/h5-10,13-14,30H,1-4,11-12,15H2,(H2,26,28)(H,27,31)
InChIKey: KDIMVKXBQNTHIJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Nc1nc2cc(ccc2cc1)CNC(=O)c1cc2c(cc1)n(CCO)c1CCCCc21
OpenEye OEToolkits 2.0.7c1cc(cc2c1ccc(n2)N)CNC(=O)c3ccc4c(c3)c5c(n4CCO)CCCC5
CACTVS 3.385Nc1ccc2ccc(CNC(=O)c3ccc4n(CCO)c5CCCCc5c4c3)cc2n1
Name:N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
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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