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BioLiP

PDB CCD ID: PP4
Number of entries in BioLiP: 1
Chemical formula: C28 H32 N2 O7 P
InChI: InChI=1S/C28H33N2O7P/c1-19(2)26(29-18-31)27(32)30-25(17-21-13-14-22-11-7-8-12-23(22)15-21)38(34,35)37-24(28(33)36-3)16-20-9-5-4-6-10-20/h4-15,18-19,24-26H,16-17H2,1-3H3,(H,29,31)(H,30,32)(H,34,35)/p-1/t24-,25+,26-/m0/s1
InChIKey: SBIPQEWAZQAMRY-NXCFDTQHSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc2ccccc2c1)[P@@](=O)([O-])O[C@@H](Cc3ccccc3)C(=O)OC)NC=O
CACTVS 3.341COC(=O)[C@H](Cc1ccccc1)O[P]([O-])(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](NC=O)C(C)C
CACTVS 3.341COC(=O)[CH](Cc1ccccc1)O[P]([O-])(=O)[CH](Cc2ccc3ccccc3c2)NC(=O)[CH](NC=O)C(C)C
ACDLabs 10.04O=CNC(C(=O)NC(Cc2cc1ccccc1cc2)P([O-])(=O)OC(C(=O)OC)Cc3ccccc3)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)NC(Cc1ccc2ccccc2c1)P(=O)([O-])OC(Cc3ccccc3)C(=O)OC)NC=O
Name:METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE
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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