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BioLiP

PDB CCD ID: 4BA
Number of entries in BioLiP: 0
Chemical formula: C11 H13 N O4
InChI: InChI=1S/C11H13NO4/c13-10(14)5-6-12-7-8-1-3-9(4-2-8)11(15)16/h1-4,12H,5-7H2,(H,13,14)(H,15,16)
InChIKey: DRKHULAQAPAOAI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)c1ccc(cc1)CNCCC(=O)O
CACTVS 3.341OC(=O)CCNCc1ccc(cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CNCCC(=O)O)C(=O)O
Name:4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-BENZOIC ACID
ZINC: ZINC000006506101
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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