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BioLiP

PDB CCD ID: W6D
Number of entries in BioLiP: 1
Chemical formula: C9 H8 N2 O
InChI: InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
InChIKey: ACRGIRLCXXEJCS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c2cc[nH]c2c1)C(=O)N
CACTVS 3.385NC(=O)c1cccc2[nH]ccc12
ACDLabs 12.01c2nc1cccc(C(N)=O)c1c2
Name:1H-indole-4-carboxamide
ChEMBL: CHEMBL4538677
ZINC: ZINC000032199226
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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