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BioLiP

PDB CCD ID: OFM
Number of entries in BioLiP: 0
Chemical formula: C24 H24 N4 O6
InChI: InChI=1S/C24H24N4O6/c1-14-21(27-24(33,34-14)19(25)12-15-5-3-2-4-6-15)22-26-18(23(32)28(22)13-20(30)31)11-16-7-9-17(29)10-8-16/h2-11,14,19,29,33H,12-13,25H2,1H3,(H,30,31)/b18-11-/t14-,19+,24-/m1/s1
InChIKey: WUYHWZHRZZMOJP-MQDAGFNLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@@H]1C(=N[C@](O1)([C@H](Cc2ccccc2)N)O)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O
CACTVS 3.385C[CH]1O[C](O)(N=C1C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O)[CH](N)Cc4ccccc4
OpenEye OEToolkits 1.7.6CC1C(=NC(O1)(C(Cc2ccccc2)N)O)C3=NC(=Cc4ccc(cc4)O)C(=O)N3CC(=O)O
CACTVS 3.385C[C@H]1O[C@@](O)(N=C1C2=N\C(=C/c3ccc(O)cc3)C(=O)N2CC(O)=O)[C@@H](N)Cc4ccccc4
ACDLabs 12.01O=C(O)CN2C(=N/C(=C\c1ccc(O)cc1)C2=O)C3=NC(O)(OC3C)C(N)Cc4ccccc4
Name:[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
PEPTIDE DERIVED CHROMOPHORE
ZINC: ZINC000098209262
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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