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BioLiP

PDB CCD ID: YPA
Number of entries in BioLiP: 1
Chemical formula: C25 H25 N O4
InChI: InChI=1S/C25H25NO4/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
InChIKey: WUZIMDSVRIBNNI-DEOSSOPVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c4ccccc24)cc1)C(O)=O
CACTVS 3.341CCO[CH](Cc1ccc(OCCn2c3ccccc3c4ccccc24)cc1)C(O)=O
OpenEye OEToolkits 1.5.0CCOC(Cc1ccc(cc1)OCCn2c3ccccc3c4c2cccc4)C(=O)O
OpenEye OEToolkits 1.5.0CCO[C@@H](Cc1ccc(cc1)OCCn2c3ccccc3c4c2cccc4)C(=O)O
ACDLabs 10.04O=C(O)C(OCC)Cc4ccc(OCCn3c1ccccc1c2c3cccc2)cc4
Name:(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-PHENYL)-2-ETHOXY-PROPIONIC ACID
ChEMBL: CHEMBL86658
DrugBank: DB04270
ZINC: ZINC000001910340
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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