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BioLiP Library

PDB CCD ID: 8K3
Number of entries in BioLiP: 3
Chemical formula: C11 H13 N3 O
InChI: InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
InChIKey: WKZLNEWVIAGNAW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1C(=O)N)c(c[nH]2)CCN
CACTVS 3.385NCCc1c[nH]c2ccc(cc12)C(N)=O
Name:3-(2-azanylethyl)-1H-indole-5-carboxamide
ChEMBL: CHEMBL18840
ZINC: ZINC000002539813
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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