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BioLiP

PDB CCD ID: 7RC
Number of entries in BioLiP: 4
Chemical formula: C8 H17 N2 O5 P
InChI: InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1
InChIKey: CUVGUPIVTLGRGI-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CN(CC(N1)C(=O)O)CCCP(=O)(O)O
CACTVS 3.385OC(=O)[CH]1CN(CCC[P](O)(O)=O)CCN1
CACTVS 3.385OC(=O)[C@H]1CN(CCC[P](O)(O)=O)CCN1
OpenEye OEToolkits 2.0.7C1CN(C[C@@H](N1)C(=O)O)CCCP(=O)(O)O
Name:(2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
ChEMBL: CHEMBL47277
ZINC: ZINC000022033348
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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