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BioLiP

PDB CCD ID: 02E
Number of entries in BioLiP: 0
Chemical formula: C17 H22 N O5 P
InChI: InChI=1S/C17H22NO5P/c1-21-14-8-13-17(18)24(19,20,22-15-9-4-2-5-10-15)23-16-11-6-3-7-12-16/h2-12,14,17,19-20H,13,18H2,1H3/b14-8+/t17-/m0/s1
InChIKey: UDSHKAAJKDFNDC-AAKUMTKESA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OP(Oc1ccccc1)(Oc2ccccc2)(O)C(N)C\C=C\OC
CACTVS 3.370COC=CC[CH](N)[P](O)(O)(Oc1ccccc1)Oc2ccccc2
OpenEye OEToolkits 1.7.0COC=CCC(N)P(O)(O)(Oc1ccccc1)Oc2ccccc2
CACTVS 3.370CO\C=C\C[C@@H](N)[P](O)(O)(Oc1ccccc1)Oc2ccccc2
OpenEye OEToolkits 1.7.0CO/C=C/C[C@@H](N)P(O)(O)(Oc1ccccc1)Oc2ccccc2
Name:(E,1S)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine
ZINC: ZINC000098207742
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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