SEQ2FUN

BioLiP

PDB CCD ID: KLV
Number of entries in BioLiP: 1
Chemical formula: C10 H9 O6 P
InChI: InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)
InChIKey: BCHIXGBGRHLSBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)Oc2ccc1c(OC(=O)C=C1C)c2
OpenEye OEToolkits 1.7.6CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O
CACTVS 3.370CC1=CC(=O)Oc2cc(O[P](O)(O)=O)ccc12
Name:4-methylumbelliferyl phosphate;
4-methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate
ChEMBL: CHEMBL255305
ZINC: ZINC000001895413
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).