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BioLiP

PDB CCD ID: ETR
Number of entries in BioLiP: 1
Chemical formula: C22 H33 N O
InChI: InChI=1S/C22H33NO/c1-7-23-21(24)16-18(3)11-8-10-17(2)13-14-20-19(4)12-9-15-22(20,5)6/h8,10-11,13-14,16H,7,9,12,15H2,1-6H3,(H,23,24)/b11-8+,14-13+,17-10+,18-16+
InChIKey: WKYDOCGICAMTKE-NBIQJRODSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCNC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
OpenEye OEToolkits 1.5.0CCNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C
ACDLabs 10.04O=C(NCC)\C=C(\C=C\C=C(\C=C\C1=C(CCCC1(C)C)C)C)C
OpenEye OEToolkits 1.5.0CCNC(=O)C=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C
CACTVS 3.341CCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
Name:N-ETHYL RETINAMIDE
ChEMBL: CHEMBL418471
DrugBank: DB03917
ZINC: ZINC000012504028
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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