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BioLiP

PDB CCD ID: OID
Number of entries in BioLiP: 2
Chemical formula: C13 H22 N2 O2
InChI: InChI=1S/C13H22N2O2/c16-13(17)8-6-4-2-1-3-5-7-10-15-11-9-14-12-15/h9,11-12H,1-8,10H2,(H,16,17)
InChIKey: DOJPUPKORVKCJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cn(cn1)CCCCCCCCCC(=O)O
CACTVS 3.341OC(=O)CCCCCCCCCn1ccnc1
ACDLabs 10.04O=C(O)CCCCCCCCCn1ccnc1
Name:10-(1H-imidazol-1-yl)decanoic acid;
10-imidazolyl-decanoic acid
ZINC: ZINC000039296093
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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