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BioLiP

PDB CCD ID: E34
Number of entries in BioLiP: 1
Chemical formula: C9 H12 N2 O2
InChI: InChI=1S/C9H12N2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,10-11H2,1H3
InChIKey: NUJBTXFFJUGENN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCOC(=O)c1ccc(N)c(N)c1
ACDLabs 12.01O=C(OCC)c1cc(N)c(N)cc1
OpenEye OEToolkits 1.7.6CCOC(=O)c1ccc(c(c1)N)N
Name:ethyl 3,4-diaminobenzoate
ZINC: ZINC000000071497
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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