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BioLiP

PDB CCD ID: 37R
Number of entries in BioLiP: 4
Chemical formula: C17 H18 N2 O4
InChI: InChI=1S/C17H18N2O4/c18-17(22)4-2-1-3-10-7-13-16(9-14(10)21)23-15-8-11(20)5-6-12(15)19-13/h5-9,19-21H,1-4H2,(H2,18,22)
InChIKey: NQCQIFYOQVPSOG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O
CACTVS 3.385NC(=O)CCCCc1cc2Nc3ccc(O)cc3Oc2cc1O
ACDLabs 12.01O=C(N)CCCCc2cc1Nc3c(Oc1cc2O)cc(O)cc3
Name:5-(3,7-dihydroxy-10H-phenoxazin-2-yl)pentanamide
ZINC: ZINC000263620802
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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