BioLiP

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●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

PDB

BioLiP

PDB CCD ID:

YG5

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3 O

InChI:

InChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3

InChIKey:

AOLISVCNSODKGB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CN(C)C(=O)Cn1ncc2ccccc21
CACTVS 3.385	CN(C)C(=O)Cn1ncc2ccccc12
OpenEye OEToolkits 2.0.7	CN(C)C(=O)Cn1c2ccccc2cn1

Name:

2-(1H-indazol-1-yl)-N,N-dimethylacetamide

ChEMBL:

CHEMBL4540215

ZINC:

ZINC000096404712

Reference:

Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).

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).

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