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BioLiP

PDB CCD ID: ASE
Number of entries in BioLiP: 4
Chemical formula: C12 H14 N2 O2
InChI: InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
InChIKey: MVAWJSIDNICKHF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(NCCc2c1cc(O)ccc1nc2)C
CACTVS 3.341CC(=O)NCCc1c[nH]c2ccc(O)cc12
OpenEye OEToolkits 1.5.0CC(=O)NCCc1c[nH]c2c1cc(cc2)O
Name:N-ACETYL SEROTONIN
ChEMBL: CHEMBL33103
DrugBank: DB04275
ZINC: ZINC000000066104
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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