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BioLiP

PDB CCD ID: 58Z
Number of entries in BioLiP: 1
Chemical formula: C16 H20 N2 O3
InChI: InChI=1S/C16H20N2O3/c19-16(20)12-4-7-18(8-5-12)9-10-21-14-1-2-15-13(11-14)3-6-17-15/h1-3,6,11-12,17H,4-5,7-10H2,(H,19,20)
InChIKey: WEUOMMCSMCVWHD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O
CACTVS 3.341OC(=O)C1CCN(CCOc2ccc3[nH]ccc3c2)CC1
ACDLabs 10.04O=C(O)C3CCN(CCOc2cc1ccnc1cc2)CC3
Name:1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid
ChEMBL: CHEMBL562164
ZINC: ZINC000039257799
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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