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BioLiP

PDB CCD ID: 6OW
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N4
InChI: InChI=1S/C12H12N4/c1-8-4-6-16-11(7-8)14-9(2)12(16)10-3-5-13-15-10/h3-7H,1-2H3,(H,13,15)
InChIKey: ZNRUSTFXUSPVPD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2(nc1cc(C)ccn1c2c3ccnn3)C
CACTVS 3.385Cc1ccn2c(c1)nc(C)c2c3[nH]ncc3
OpenEye OEToolkits 2.0.4Cc1ccn2c(c1)nc(c2c3ccn[nH]3)C
Name:2,7-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine
ChEMBL: CHEMBL4785476
ZINC: ZINC000102999091
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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