SEQ2FUN

BioLiP

PDB CCD ID: A1CDS
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N3 O
InChI: InChI=1S/C11H13N3O/c12-11-8-10(13-14(11)6-7-15)9-4-2-1-3-5-9/h1-5,8,15H,6-7,12H2
InChIKey: VWHSJZHUWWEFAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)c2cc(n(n2)CCO)N
CACTVS 3.385Nc1cc(nn1CCO)c2ccccc2
ACDLabs 14.52OCCn1nc(cc1N)c1ccccc1
Name:2-(5-amino-3-phenyl-1H-pyrazol-1-yl)ethan-1-ol
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).