SEQ2FUN

BioLiP

PDB CCD ID: UVD
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N2 O2
InChI: InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)
InChIKey: ZWUBZIQOXMHHOZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2ccc(Cc1ccc(cc1)NC(OC)=O)cc2
CACTVS 3.385COC(=O)Nc1ccc(Cc2ccncc2)cc1
OpenEye OEToolkits 2.0.7COC(=O)Nc1ccc(cc1)Cc2ccncc2
Name:methyl {4-[(pyridin-4-yl)methyl]phenyl}carbamate
ChEMBL: CHEMBL1904189
ZINC: ZINC000000036068
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).