SEQ2FUN

BioLiP

PDB CCD ID: AHC
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12)
InChIKey: WXOHKMNWMKZMND-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CCc1ccc(N)cc1
CACTVS 3.341Nc1ccc(CCC(O)=O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CCC(=O)O)N
Name:4-AMINOHYDROCINNAMIC ACID
DrugBank: DB03210
ZINC: ZINC000000283596
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).