BioLiP

PDB

BioLiP

PDB CCD ID:

A1IV2

Number of entries in BioLiP:

Chemical formula:

C23 H24 Cl2 N2 O3

InChI:

InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3

InChIKey:

FSFZRNZSZYDVLI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c2cc(ccc2n1C(=O)c3cccc(c3Cl)Cl)OC)CCN4CCOCC4
CACTVS 3.385	COc1ccc2n(c(C)c(CCN3CCOCC3)c2c1)C(=O)c4cccc(Cl)c4Cl

Name:

[2,3-bis(chloranyl)phenyl]-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone

ChEMBL:

CHEMBL73711

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).