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BioLiP

PDB CCD ID: I3A
Number of entries in BioLiP: 19
Chemical formula: C9 H7 N O
InChI: InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
InChIKey: OLNJUISKUQQNIM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C=O
CACTVS 3.341O=Cc1c[nH]c2ccccc12
ACDLabs 10.04O=Cc2c1ccccc1nc2
Name:1H-INDOLE-3-CARBALDEHYDE
ChEMBL: CHEMBL147741
ZINC: ZINC000000087959
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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