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BioLiP

PDB CCD ID: QY1
Number of entries in BioLiP: 13
Chemical formula: C23 H23 N O3
InChI: InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1
InChIKey: ZEYYDOLCHFETHQ-JOCHJYFZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O
CACTVS 3.385OC(=O)[CH](C1CCCC1)c2ccc(OCc3ccc4ccccc4n3)cc2
CACTVS 3.385OC(=O)[C@H](C1CCCC1)c2ccc(OCc3ccc4ccccc4n3)cc2
OpenEye OEToolkits 2.0.7c1ccc2c(c1)ccc(n2)COc3ccc(cc3)C(C4CCCC4)C(=O)O
ACDLabs 12.01c1cccc2ccc(nc12)COc3ccc(cc3)C(C(=O)O)C4CCCC4
Name:(2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid
ChEMBL: CHEMBL88712
DrugBank: DB16346
ZINC: ZINC000000598193
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)(download the PDF file).
  • 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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