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BioLiP

PDB CCD ID: 8SM
Number of entries in BioLiP: 0
Chemical formula: C13 H12 N4
InChI: InChI=1S/C13H12N4/c1-16-10-11(12-6-2-3-7-14-12)13(15-16)17-8-4-5-9-17/h2-10H,1H3
InChIKey: XCHUIBSCRPPPPA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cn1cc(c(n1)n2cccc2)c3ccccn3
ACDLabs 12.01n2(cc(c1ccccn1)c(n2)n3cccc3)C
CACTVS 3.385Cn1cc(c2ccccn2)c(n1)n3cccc3
Name:2-[1-methyl-3-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]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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