SEQ2FUN

BioLiP

PDB CCD ID: V9C
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)
InChIKey: FQCDZURCBARRDO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)CCNC(=O)O
CACTVS 3.385OC(=O)NCCc1ccccc1
Name:2-phenylethylcarbamic acid
ChEMBL: CHEMBL1253290
ZINC: ZINC000006579502
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).