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BioLiP

PDB CCD ID: HEP
Number of entries in BioLiP: 4
Chemical formula: C15 H22 N O6 P
InChI: InChI=1S/C15H22NO6P/c1-2-3-9-14(16-13(17)10-11-15(18)19)23(20,21)22-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t14-/m1/s1
InChIKey: FJQWWGCHPFSERW-CQSZACIVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCC(NC(=O)CCC(=O)O)P(=O)(O)Oc1ccccc1
CACTVS 3.341CCCC[CH](NC(=O)CCC(O)=O)[P](O)(=O)Oc1ccccc1
ACDLabs 10.04O=P(Oc1ccccc1)(O)C(NC(=O)CCC(=O)O)CCCC
CACTVS 3.341CCCC[C@H](NC(=O)CCC(O)=O)[P@](O)(=O)Oc1ccccc1
OpenEye OEToolkits 1.5.0CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1
Name:PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE
DrugBank: DB07893
ZINC: ZINC000003874662
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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