SEQ2FUN

BioLiP

PDB CCD ID: 6SD
Number of entries in BioLiP: 4
Chemical formula: C10 H11 N3 O
InChI: InChI=1S/C10H11N3O/c1-14-8-4-2-7(3-5-8)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)
InChIKey: UPAGEJODHNVJNM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5COc1ccc(cc1)c2cc([nH]n2)N
CACTVS 3.385COc1ccc(cc1)c2cc(N)[nH]n2
Name:3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine
ChEMBL: CHEMBL3751985
ZINC: ZINC000014989398
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).