SEQ2FUN

BioLiP

PDB CCD ID: 4MU
Number of entries in BioLiP: 12
Chemical formula: C10 H8 O3
InChI: InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
InChIKey: HSHNITRMYYLLCV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2Oc1cc(O)ccc1C(=C2)C
OpenEye OEToolkits 1.5.0CC1=CC(=O)Oc2c1ccc(c2)O
CACTVS 3.341CC1=CC(=O)Oc2cc(O)ccc12
Name:7-hydroxy-4-methyl-2H-chromen-2-one;
4-methylumbelliferone
ChEMBL: CHEMBL12208
DrugBank: DB07118
ZINC: ZINC000000058121
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).