SEQ2FUN

BioLiP

PDB CCD ID: P4Y
Number of entries in BioLiP: 1
Chemical formula: C20 H15 N3 O4
InChI: InChI=1S/C20H15N3O4/c24-18-17(20(26)27)22-15(23-19(18)25)10-13-12-8-4-5-9-14(12)21-16(13)11-6-2-1-3-7-11/h1-9,21,24H,10H2,(H,26,27)(H,22,23,25)
InChIKey: JONQCFJPPWOWOJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4)O)O)C(=O)O
CACTVS 3.370OC(=O)c1nc(Cc2c([nH]c3ccccc23)c4ccccc4)nc(O)c1O
ACDLabs 12.01O=C(O)c1nc(nc(O)c1O)Cc3c2ccccc2nc3c4ccccc4
Name:5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid
ZINC: ZINC000066167058
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).