SEQ2FUN

BioLiP

PDB CCD ID: M7Y
Number of entries in BioLiP: 3
Chemical formula: C19 H25 N3 O3
InChI: InChI=1S/C19H25N3O3/c1-19(2)13-21(15-8-4-5-9-15)18(24)22(19)16-10-6-3-7-14(16)11-12-17(23)20-25/h3,6-7,10-12,15,25H,4-5,8-9,13H2,1-2H3,(H,20,23)/b12-11+
InChIKey: ILHJFGLWWDTUKY-VAWYXSNFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1(C)CN(C2CCCC2)C(=O)N1c3ccccc3/C=C/C(=O)NO
OpenEye OEToolkits 2.0.7CC1(CN(C(=O)N1c2ccccc2/C=C/C(=O)NO)C3CCCC3)C
CACTVS 3.385CC1(C)CN(C2CCCC2)C(=O)N1c3ccccc3C=CC(=O)NO
OpenEye OEToolkits 2.0.7CC1(CN(C(=O)N1c2ccccc2C=CC(=O)NO)C3CCCC3)C
ACDLabs 12.01c1(c([C@H]=CC(=O)NO)cccc1)N3C(CN(C2CCCC2)C3=O)(C)C
Name:(2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).