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BioLiP

PDB CCD ID: ANT
Number of entries in BioLiP: 0
Chemical formula: C16 H17 N3 O4
InChI: InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+/t11-,15-/m0/s1
InChIKey: VGQOVCHZGQWAOI-HYUHUPJXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ccc2c(c1O)N[C@H]([C@@H]3CC(=CN3C2=O)\C=C\C(=O)N)O
CACTVS 3.341Cc1ccc2C(=O)N3C=C(C[C@H]3[C@H](O)Nc2c1O)\C=C\C(N)=O
CACTVS 3.341Cc1ccc2C(=O)N3C=C(C[CH]3[CH](O)Nc2c1O)C=CC(N)=O
ACDLabs 10.04O=C(N)\C=C\C3=CN2C(=O)c1c(c(O)c(cc1)C)NC(O)C2C3
OpenEye OEToolkits 1.5.0Cc1ccc2c(c1O)NC(C3CC(=CN3C2=O)C=CC(=O)N)O
Name:ANTHRAMYCIN
ZINC: ZINC000005782171
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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