SEQ2FUN

BioLiP

PDB CCD ID: MCM
Number of entries in BioLiP: 20
Chemical formula: C10 H9 N O2
InChI: InChI=1S/C10H9NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5H,11H2,1H3
InChIKey: GLNDAGDHSLMOKX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CC(=O)Oc2c1ccc(c2)N
CACTVS 3.341CC1=CC(=O)Oc2cc(N)ccc12
ACDLabs 10.04O=C2Oc1cc(ccc1C(=C2)C)N
Name:7-AMINO-4-METHYL-CHROMEN-2-ONE;
7-AMINO-4-METHYLCOUMARIN
ChEMBL: CHEMBL270672
DrugBank: DB08168
ZINC: ZINC000000057949
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).