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BioLiP

PDB CCD ID: 292
Number of entries in BioLiP: 2
Chemical formula: C18 H17 N3 O
InChI: InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)
InChIKey: RIGZCVNCFXYBEG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(Nc1cc(nn1)C2CC2)Cc4cc3ccccc3cc4
OpenEye OEToolkits 1.5.0c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4
CACTVS 3.341O=C(Cc1ccc2ccccc2c1)Nc3[nH]nc(c3)C4CC4
Name:N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE;
PNU-292137 INHIBITOR
ChEMBL: CHEMBL115220
DrugBank: DB06944
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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