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:

VXD

Number of entries in BioLiP:

Chemical formula:

C9 H11 Cl N2 O

InChI:

InChI=1S/C9H11ClN2O/c1-6-7(10)3-2-4-8(6)12-9(13)5-11/h2-4H,5,11H2,1H3,(H,12,13)

InChIKey:

FPQHYOUXKZRHSA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1c(Cl)cccc1NC(=O)CN
OpenEye OEToolkits 2.0.7	Cc1c(cccc1Cl)NC(=O)CN
ACDLabs 12.01	N(C(=O)CN)c1cccc(c1C)Cl

Name:

N-(3-chloro-2-methylphenyl)glycinamide

ZINC:

ZINC000003399182

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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