SEQ2FUN

BioLiP

PDB CCD ID: KY1
Number of entries in BioLiP: 8
Chemical formula: C10 H11 N O3
InChI: InChI=1S/C10H11NO3/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4H,5-6,11H2,(H,13,14)
InChIKey: BIASMBPERGWEBX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)CCC(=O)O)N
CACTVS 3.341Nc1ccccc1C(=O)CCC(O)=O
ACDLabs 10.04O=C(c1ccccc1N)CCC(=O)O
Name:4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID
ChEMBL: CHEMBL1233898
DrugBank: DB08060
ZINC: ZINC000013356580
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).