SEQ2FUN

BioLiP

PDB CCD ID: QVK
Number of entries in BioLiP: 1
Chemical formula: C15 H11 Cl N2 O
InChI: InChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)13(14(18-12)15(17)19)9-4-2-1-3-5-9/h1-8,18H,(H2,17,19)
InChIKey: ASGAHGHLFFGPBN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1[nH]c2ccc(Cl)cc2c1c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)N)Cl
Name:5-chloranyl-3-phenyl-1~{H}-indole-2-carboxamide
ChEMBL: CHEMBL4744483
ZINC: ZINC000002571516
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).