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BioLiP

PDB CCD ID: MUY
Number of entries in BioLiP: 4
Chemical formula: C19 H22 N3 O6 P
InChI: InChI=1S/C19H22N3O6P/c1-29(27,28)19(12-4-8-14(24)9-5-12)22-10-15(18(22)26)21-17(25)16(20)11-2-6-13(23)7-3-11/h2-9,15-16,19,23-24H,10,20H2,1H3,(H,21,25)(H,27,28)/t15-,16+,19-/m0/s1
InChIKey: SAUAKDHLYZXRHJ-FCEWJHQRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CP(=O)([C@@H](c1ccc(cc1)O)N2C[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)O
CACTVS 3.385C[P](O)(=O)[C@H](N1C[C@H](NC(=O)[C@H](N)c2ccc(O)cc2)C1=O)c3ccc(O)cc3
OpenEye OEToolkits 2.0.7CP(=O)(C(c1ccc(cc1)O)N2CC(C2=O)NC(=O)C(c3ccc(cc3)O)N)O
ACDLabs 12.01Oc1ccc(cc1)C(P(=O)(O)C)N2CC(C2=O)NC(=O)C(N)c3ccc(cc3)O
CACTVS 3.385C[P](O)(=O)[CH](N1C[CH](NC(=O)[CH](N)c2ccc(O)cc2)C1=O)c3ccc(O)cc3
Name:(R)-[(S)-[(3S)-3-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-2-oxoazetidin-1-yl](4-hydroxyphenyl)methyl]methylphosphinic acid
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)(download the PDF file).
  • 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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