BioLiP

PDB

BioLiP

PDB CCD ID:

KI9

Number of entries in BioLiP:

Chemical formula:

C12 H4 Cl5 N O

InChI:

InChI=1S/C12H4Cl5NO/c13-3-1-4-6-7(15)8(16)9(17)12(19)11(6)18-10(4)5(14)2-3/h1-2,18-19H

InChIKey:

AEMWOCRPUWTJCH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	Oc1c(Cl)c(Cl)c(Cl)c2c1[nH]c3c(Cl)cc(Cl)cc23
ACDLabs 10.04	Clc1c(O)c3c(c(Cl)c1Cl)c2cc(Cl)cc(Cl)c2n3
OpenEye OEToolkits 1.6.1	c1c(cc(c2c1c3c([nH]2)c(c(c(c3Cl)Cl)Cl)O)Cl)Cl

Name:

2,3,4,6,8-PENTACHLORO-9H-CARBAZOL-1-OL

ZINC:

ZINC000066156914

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).