BioLiP

PDB

BioLiP

PDB CCD ID:

H70

Number of entries in BioLiP:

Chemical formula:

C10 H4 Br3 Cl2 N O

InChI:

InChI=1S/C10H4Br3Cl2NO/c11-6-7(12)10(13)16-8(6)4-1-3(14)2-5(15)9(4)17/h1-2,16-17H

InChIKey:

KMUJMUQZYHMNDR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Brc2c(c1cc(Cl)cc(Cl)c1O)nc(Br)c2Br
OpenEye OEToolkits 1.6.1	c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl
CACTVS 3.352	Oc1c(Cl)cc(Cl)cc1c2[nH]c(Br)c(Br)c2Br

Name:

2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL;
TRIBROMODICHLOROPSEUDILIN

ChEMBL:

CHEMBL1738810

ZINC:

ZINC000066156754

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).