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BioLiP

PDB CCD ID: QJD
Number of entries in BioLiP: 1
Chemical formula: C19 H21 N O2
InChI: InChI=1S/C19H21NO2/c21-19(22)14-15-9-10-18(20-11-5-2-6-12-20)17(13-15)16-7-3-1-4-8-16/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,21,22)
InChIKey: HOITWFFAQWXRJD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)Cc1cc(c(cc1)N1CCCCC1)c1ccccc1
CACTVS 3.385OC(=O)Cc1ccc(N2CCCCC2)c(c1)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cc(ccc2N3CCCCC3)CC(=O)O
Name:[6-(piperidin-1-yl)[1,1'-biphenyl]-3-yl]acetic acid
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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