SEQ2FUN

BioLiP

PDB CCD ID: MZC
Number of entries in BioLiP: 3
Chemical formula: C14 H17 N3 O3
InChI: InChI=1S/C14H17N3O3/c1-9(18)15-6-5-10-8-16-13-4-3-11(7-12(10)13)17-14(19)20-2/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,18)(H,17,19)
InChIKey: MPZVHKLZCUEJFO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC
ACDLabs 12.01O=C(OC)Nc1cc2c(cc1)ncc2CCNC(=O)C
CACTVS 3.370COC(=O)Nc1ccc2[nH]cc(CCNC(C)=O)c2c1
Name:methyl {3-[2-(acetylamino)ethyl]-1H-indol-5-yl}carbamate
ChEMBL: CHEMBL504585
ZINC: ZINC000002567732
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).