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BioLiP

PDB CCD ID: 6I4
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N2
InChI: InChI=1S/C15H14N2/c1-9-5-8-13-12-4-2-3-11(10-6-7-10)14(12)17-15(13)16-9/h2-5,8,10H,6-7H2,1H3,(H,16,17)
InChIKey: QMVQHFCXSBAHPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc2c3cccc(c3[nH]c2n1)C4CC4
CACTVS 3.385Cc1ccc2c([nH]c3c(cccc23)C4CC4)n1
Name:8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole
ChEMBL: CHEMBL5093860
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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