SEQ2FUN

BioLiP

PDB CCD ID: 5MK
Number of entries in BioLiP: 5
Chemical formula: C7 H7 Cl N2 O
InChI: InChI=1S/C7H7ClN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKey: DNRVZOZGQHHDAT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1cc(Cl)ccc1N
OpenEye OEToolkits 2.0.4c1cc(c(cc1Cl)C(=O)N)N
Name:2-azanyl-5-chloranyl-benzamide
ChEMBL: CHEMBL3804877
ZINC: ZINC000000152576
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).