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BioLiP

PDB CCD ID: 5GB
Number of entries in BioLiP: 1
Chemical formula: C18 H14 N4 S
InChI: InChI=1S/C18H14N4S/c1-11-4-2-5-12(10-11)16-17(23-18(19)22-16)15-8-7-13-14(21-15)6-3-9-20-13/h2-10H,1H3,(H2,19,22)
InChIKey: DKLCXLVLUXDLJI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1cccc(c1)c2c(sc(n2)N)c3ccc4c(n3)cccn4
ACDLabs 12.01n1c4c(ccc1c3c(c2cc(ccc2)C)nc(N)s3)nccc4
CACTVS 3.385Cc1cccc(c1)c2nc(N)sc2c3ccc4ncccc4n3
Name:4-(3-methylphenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine
ChEMBL: CHEMBL4209540
ZINC: ZINC000263620358
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)(download the PDF file).
  • 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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