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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 CCD ID: TI9
Number of entries in BioLiP: 13
Chemical formula: C11 H12 N2
InChI: InChI=1S/C11H12N2/c1-3-10(9-12-7-1)5-6-11-4-2-8-13-11/h1,3,7,9,11,13H,2,4,8H2/t11-/m0/s1
InChIKey: YOOCTKCKTOXZCT-NSHDSACASA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C1CCNC1C#Cc2cnccc2
OpenEye OEToolkits 1.9.2c1cc(cnc1)C#C[C@@H]2CCCN2
CACTVS 3.385C1CN[CH](C1)C#Cc2cccnc2
CACTVS 3.385C1CN[C@@H](C1)C#Cc2cccnc2
OpenEye OEToolkits 1.9.2c1cc(cnc1)C#CC2CCCN2
Name:3-[(2S)-pyrrolidin-2-ylethynyl]pyridine

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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