SEQ2FUN

BioLiP

PDB CCD ID: 6T7
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N3 O3
InChI: InChI=1S/C12H11N3O3/c16-11-4-3-10(9-2-1-6-13-8-9)14-15(11)7-5-12(17)18/h1-4,6,8H,5,7H2,(H,17,18)
InChIKey: FPHNPEYKDLCEEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCN1N=C(C=CC1=O)c2cccnc2
OpenEye OEToolkits 2.0.5c1cc(cnc1)C2=NN(C(=O)C=C2)CCC(=O)O
Name:3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid
ChEMBL: CHEMBL4084541
ZINC: ZINC000061957849
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).