SEQ2FUN

BioLiP

PDB CCD ID: 9EZ
Number of entries in BioLiP: 2
Chemical formula: C10 H11 N3
InChI: InChI=1S/C10H11N3/c1-13-10(11)7-9(12-13)8-5-3-2-4-6-8/h2-7H,11H2,1H3
InChIKey: KCYRMURRLLYLPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cn1c(cc(n1)c2ccccc2)N
CACTVS 3.385Cn1nc(cc1N)c2ccccc2
Name:2-methyl-5-phenyl-pyrazol-3-amine
ChEMBL: CHEMBL4084029
ZINC: ZINC000000095216
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).