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BioLiP

PDB CCD ID: 4FY
Number of entries in BioLiP: 1
Chemical formula: C15 H15 N3 O4
InChI: InChI=1S/C15H15N3O4/c19-14(18-6-8-22-9-7-18)11-12(15(20)21)17-13(16-11)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)(H,20,21)
InChIKey: VLPLWGMKNLKROX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OC(=O)c1[nH]c(nc1C(=O)N2CCOCC2)c3ccccc3
OpenEye OEToolkits 1.6.1c1ccc(cc1)c2[nH]c(c(n2)C(=O)N3CCOCC3)C(=O)O
ACDLabs 10.04O=C(c2nc(c1ccccc1)nc2C(=O)O)N3CCOCC3
Name:4-(MORPHOLIN-4-YLCARBONYL)-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID
ChEMBL: CHEMBL1230282
ZINC: ZINC000058626951
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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