BioLiP

PDB

BioLiP

PDB CCD ID:

1KP

Number of entries in BioLiP:

Chemical formula:

C8 H4 Cl2 N2 O2

InChI:

InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,14H,(H,11,12,13)

InChIKey:

CVOUSAVHMDXCKG-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1ccc\2c(c1Cl)NC(=O)C/2=N\O
OpenEye OEToolkits 1.7.6	c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl
CACTVS 3.370	ON=C1C(=O)Nc2c(Cl)c(Cl)ccc12
CACTVS 3.370	O\N=C/1C(=O)Nc2c(Cl)c(Cl)ccc/12

Name:

(3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one

ChEMBL:

CHEMBL499968

ZINC:

ZINC000013829418

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).