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BioLiP

PDB CCD ID: FEN
Number of entries in BioLiP: 1
Chemical formula: C26 H33 N O2
InChI: InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
InChIKey: AKJHMTWEGVYYSE-FXILSDISSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)Nc2ccc(cc2)O)C)C
CACTVS 3.341CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1
CACTVS 3.341CC1=C(C=CC(C)=CC=CC(C)=CC(=O)Nc2ccc(O)cc2)C(C)(C)CCC1
ACDLabs 10.04O=C(Nc1ccc(O)cc1)\C=C(\C=C\C=C(\C=C\C2=C(CCCC2(C)C)C)C)C
OpenEye OEToolkits 1.5.0CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2)O)\C)\C
Name:N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE
ChEMBL: CHEMBL7301
DrugBank: DB05076
ZINC: ZINC000003871023
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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