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BioLiP Library

PDB CCD ID: 67V
Number of entries in BioLiP: 2
Chemical formula: C17 H16 N2 O2
InChI: InChI=1S/C17H16N2O2/c1-9-13(17(20)21-2)8-14-12-5-3-4-11(10-6-7-10)15(12)19-16(14)18-9/h3-5,8,10H,6-7H2,1-2H3,(H,18,19)
InChIKey: PMYXVYACIJANSL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC
CACTVS 3.385COC(=O)c1cc2c([nH]c3c(cccc23)C4CC4)nc1C
Name:methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate
ChEMBL: CHEMBL5073515
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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