SEQ2FUN

BioLiP

PDB CCD ID: PHC
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O
InChI: InChI=1S/C10H13NO/c1-9(11(2)8-12)10-6-4-3-5-7-10/h3-9H,1-2H3/t9-/m0/s1
InChIKey: YYPINKULTUCCJA-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H](c1ccccc1)N(C)C=O
ACDLabs 10.04O=CN(C(c1ccccc1)C)C
CACTVS 3.341C[C@H](N(C)C=O)c1ccccc1
CACTVS 3.341C[CH](N(C)C=O)c1ccccc1
OpenEye OEToolkits 1.5.0CC(c1ccccc1)N(C)C=O
Name:N-METHYL-N-(METHYLBENZYL)FORMAMIDE
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).