SEQ2FUN

BioLiP

PDB CCD ID: QW5
Number of entries in BioLiP: 1
Chemical formula: C16 H13 Cl N2 O2
InChI: InChI=1S/C16H13ClN2O2/c1-21-11-4-2-3-9(7-11)14-12-8-10(17)5-6-13(12)19-15(14)16(18)20/h2-8,19H,1H3,(H2,18,20)
InChIKey: INZGVMONFMTZEK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1cccc(c1)c2c3cc(ccc3[nH]c2C(=O)N)Cl
CACTVS 3.385COc1cccc(c1)c2c([nH]c3ccc(Cl)cc23)C(N)=O
Name:5-chloranyl-3-(3-methoxyphenyl)-1~{H}-indole-2-carboxamide
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).