BioLiP

PDB

BioLiP

PDB CCD ID:

Z72

Number of entries in BioLiP:

Chemical formula:

C20 H18 Cl2 N2 O4

InChI:

InChI=1S/C20H18Cl2N2O4/c1-26-16-7-6-12-15(24-18-13(21)9-23-10-14(18)22)8-17(25)28-19(12)20(16)27-11-4-2-3-5-11/h6-11H,2-5H2,1H3,(H,23,24)

InChIKey:

YUTTWVBLGONANE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	COc1ccc2C(=CC(=O)Oc2c1OC3CCCC3)Nc4c(Cl)cncc4Cl
OpenEye OEToolkits 1.7.0	COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2Nc4c(cncc4Cl)Cl
ACDLabs 12.01	Clc1cncc(Cl)c1NC=2c4c(OC(=O)C=2)c(OC3CCCC3)c(OC)cc4

Name:

8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2H-chromen-2-one

ChEMBL:

CHEMBL1096812

ZINC:

ZINC000100103896

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).