SEQ2FUN

BioLiP

PDB CCD ID: 69W
Number of entries in BioLiP: 2
Chemical formula: C15 H14 N4
InChI: InChI=1S/C15H14N4/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14-9-18-19-15(14)17/h1-9H,16H2,(H3,17,18,19)
InChIKey: XJQYSQDWCYFLKB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N
CACTVS 3.385Nc1cccc(c1)c2cccc(c2)c3cn[nH]c3N
ACDLabs 12.01Nc1cccc(c1)c2cc(ccc2)c3c(N)nnc3
Name:4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-5-amine
ChEMBL: CHEMBL3806191
ZINC: ZINC000584904926
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).