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:

CNX

Number of entries in BioLiP:

Chemical formula:

C7 H13 N

InChI:

InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3

InChIKey:

SDAXRHHPNYTELL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	N#CCCCCCC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCC#N

Name:

heptanenitrile;
1-cyanohexane

ChEMBL:

CHEMBL1231869

ZINC:

ZINC000001577185

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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