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BioLiP

PDB CCD ID: LMC
Number of entries in BioLiP: 4
Chemical formula: C18 H21 N O
InChI: InChI=1S/C18H21NO/c1-14(12-13-20)8-7-11-17-18(2,3)15-9-5-6-10-16(15)19(17)4/h5-13H,1-4H3/b8-7+,14-12+,17-11+
InChIKey: UGINWNVBXWWHCS-RZZAMGAFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN1c2ccccc2C(C)(C)/C1=C\C=C\C(/C)=C/C=O
OpenEye OEToolkits 1.5.0C/C(=C\C=O)/C=C/C=C/1\C(c2ccccc2N1C)(C)C
ACDLabs 10.04O=C\C=C(\C=C\C=C2\N(c1ccccc1C2(C)C)C)C
OpenEye OEToolkits 1.5.0CC(=CC=O)C=CC=C1C(c2ccccc2N1C)(C)C
CACTVS 3.341CN1c2ccccc2C(C)(C)C1=CC=CC(C)=CC=O
Name:(2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal;
(2E,4E,6Z)-3-methyl-6-(1,3,3-trimethylindolin-2-ylidene)hexa-2,4-dienal
ZINC: ZINC000058649899
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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