BioLiP

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●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●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:

IM4

Number of entries in BioLiP:

Chemical formula:

C9 H10 Cl N5 O2

InChI:

InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)

InChIKey:

YWTYJOPNNQFBPC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	[O-][N+](=O)N=C1NCCN1Cc2ccc(Cl)nc2
OpenEye OEToolkits 1.5.0	c1cc(ncc1CN2CCNC2=N[N+](=O)[O-])Cl
OpenEye OEToolkits 1.5.0	c1cc(ncc1CN\2CCN/C2=N\[N+](=O)[O-])Cl
ACDLabs 10.04	[O-][N+](=O)/N=C1\NCCN1Cc2cnc(Cl)cc2
CACTVS 3.341	[O-][N+](=O)\N=C\1NCCN\1Cc2ccc(Cl)nc2

Name:

(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine;
imidacloprid

ChEMBL:

CHEMBL406819

DrugBank:

DB11421

ZINC:

ZINC000004474604

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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