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BioLiP

PDB CCD ID: KSS
Number of entries in BioLiP: 1
Chemical formula: C16 H17 N3 O2 S
InChI: InChI=1S/C16H17N3O2S/c1-4-22-16-18-12(10-15-17-7-8-19(15)16)11-5-6-13(20-2)14(9-11)21-3/h5-10H,4H2,1-3H3
InChIKey: VCAREOFNIBYKAE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CCSc1nc(cc2nccn12)c3ccc(OC)c(OC)c3
OpenEye OEToolkits 1.7.0CCSc1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC
Name:7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine
ZINC: ZINC000000009125
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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