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BioLiP

PDB CCD ID: PY1
Number of entries in BioLiP: 1
Chemical formula: C17 H12 N4
InChI: InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)
InChIKey: IBCXZJCWDGCXQT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341[nH]1cc(c2ccnc3ccccc23)c(n1)c4ccccn4
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4
ACDLabs 10.04n3ccc(c1c(nnc1)c2ncccc2)c4ccccc34
Name:4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE
ChEMBL: CHEMBL261454
DrugBank: DB03921
ZINC: ZINC000015894680
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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