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BioLiP

PDB CCD ID: JKS
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3
InChI: InChI=1S/C10H11N3/c11-7-9-3-4-10(8-12-9)13-5-1-2-6-13/h3-4,8H,1-2,5-6H2
InChIKey: WBEGYGZFOINKIL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N#Cc1ccc(cn1)N2CCCC2
OpenEye OEToolkits 2.0.6c1cc(ncc1N2CCCC2)C#N
ACDLabs 12.01C1CCCN1c2ccc(C#N)nc2
Name:5-(pyrrolidin-1-yl)pyridine-2-carbonitrile
ZINC: ZINC000012370480
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).
  • 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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