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BioLiP

PDB CCD ID: ZVB
Number of entries in BioLiP: 0
Chemical formula: C10 H12 N2
InChI: InChI=1S/C10H12N2/c1-7(2)9-6-10-8(12-9)4-3-5-11-10/h3-7,12H,1-2H3
InChIKey: OKEHFANNANVSEO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)c1cc2c([nH]1)cccn2
ACDLabs 12.01CC(C)c1cc2ncccc2[NH]1
CACTVS 3.385CC(C)c1[nH]c2cccnc2c1
Name:2-(propan-2-yl)-1H-pyrrolo[3,2-b]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).
  • 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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