SEQ2FUN

BioLiP

PDB CCD ID: LAZ
Number of entries in BioLiP: 8
Chemical formula: C9 H10 Cl N O2
InChI: InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)
InChIKey: GBARCMIFTACERW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)NCCO)Cl
ACDLabs 10.04O=C(c1ccc(Cl)cc1)NCCO
CACTVS 3.341OCCNC(=O)c1ccc(Cl)cc1
Name:N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE;
4-CHLORO-N-(2-HYDROXYETHYL)BENZAMIDE
ChEMBL: CHEMBL1233960
DrugBank: DB08082
ZINC: ZINC000001665476
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).