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BioLiP

PDB CCD ID: 2G4
Number of entries in BioLiP: 1
Chemical formula: C15 H22 N O7 P
InChI: InChI=1S/C15H22NO7P/c17-14(18)10-9-13(15(19)20)16-24(21,22)23-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,18)(H,19,20)(H2,16,21,22)/t13-/m0/s1
InChIKey: QQDXXPMQJXSLMC-ZDUSSCGKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CC[CH](N[P](O)(=O)OCCCCc1ccccc1)C(O)=O
CACTVS 3.385OC(=O)CC[C@H](N[P](O)(=O)OCCCCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.9.2c1ccc(cc1)CCCCOP(=O)(NC(CCC(=O)O)C(=O)O)O
OpenEye OEToolkits 1.9.2c1ccc(cc1)CCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O
ACDLabs 12.01O=C(O)C(NP(=O)(O)OCCCCc1ccccc1)CCC(=O)O
Name:N-[(S)-hydroxy(4-phenylbutoxy)phosphoryl]-L-glutamic acid
ChEMBL: CHEMBL1207325
ZINC: ZINC000028876381
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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