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BioLiP

PDB CCD ID: 8P1
Number of entries in BioLiP: 2
Chemical formula: C10 H11 N O
InChI: InChI=1S/C10H11NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3,11H2
InChIKey: BEVVUJBVEXJGKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1N)CCCC2=O
CACTVS 3.385Nc1ccc2C(=O)CCCc2c1
Name:6-azanyl-3,4-dihydro-2~{H}-naphthalen-1-one
ZINC: ZINC000004271926
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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