SEQ2FUN

BioLiP

PDB CCD ID: PIL
Number of entries in BioLiP: 6
Chemical formula: C18 H18 Cl2 N2 O3
InChI: InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
InChIKey: RRRUXBQSQLKHEL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl
ACDLabs 10.04Clc3c(NC(=O)c2ccc(OC)c(OC1CCCC1)c2)c(Cl)cnc3
CACTVS 3.341COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(Cl)cncc3Cl
Name:3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE;
PICLAMILAST
ChEMBL: CHEMBL42126
DrugBank: DB01791
ZINC: ZINC000000598965
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).