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BioLiP

PDB CCD ID: 4DY
Number of entries in BioLiP: 26
Chemical formula: C18 H27 N O3
InChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
InChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O
CACTVS 3.385COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O
ACDLabs 12.01c1(CNC(CCCC[C@H]=CC(C)C)=O)cc(OC)c(cc1)O
CACTVS 3.385COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O
OpenEye OEToolkits 1.7.6CC(C)C=CCCCCC(=O)NCc1ccc(c(c1)OC)O
Name:(6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide;
Capsaicin;
8-Methyl-N-vanillyl-trans-6-nonenamide;
NGX-4010
ChEMBL: CHEMBL294199
DrugBank: DB06774
ZINC: ZINC000001530575
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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