SEQ2FUN

BioLiP

PDB CCD ID: 7DP
Number of entries in BioLiP: 2
Chemical formula: C10 H13 N O3
InChI: InChI=1S/C10H13NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5H2,1H3,(H,11,12)
InChIKey: OFSAJYZMIPNPHE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CC(=O)NCCc1ccc(c(c1)O)O
CACTVS 3.385CC(=O)NCCc1ccc(O)c(O)c1
Name:~{N}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide;
N-acetyldopamine
ChEMBL: CHEMBL137743
ZINC: ZINC000000402700
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).