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BioLiP

PDB CCD ID: 11P
Number of entries in BioLiP: 1
Chemical formula: C9 H13 N O7 P2
InChI: InChI=1S/C9H13NO7P2/c11-9(18(12,13)14,19(15,16)17)8-2-1-6-3-4-10-5-7(6)8/h3-5,8,11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t8-/m1/s1
InChIKey: WBALRBOBYFLYPZ-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC([CH]1CCc2ccncc12)([P](O)(O)=O)[P](O)(O)=O
CACTVS 3.341OC([C@@H]1CCc2ccncc12)([P](O)(O)=O)[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1cncc2c1CCC2C(O)(P(=O)(O)O)P(=O)(O)O
OpenEye OEToolkits 1.5.0c1cncc2c1CC[C@H]2C(O)(P(=O)(O)O)P(=O)(O)O
ACDLabs 10.04O=P(O)(O)C(O)(C2c1c(ccnc1)CC2)P(=O)(O)O
Name:[(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid)
ZINC: ZINC000016052517
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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