SEQ2FUN

BioLiP

PDB CCD ID: Z5P
Number of entries in BioLiP: 4
Chemical formula: C10 H11 N3
InChI: InChI=1S/C10H11N3/c11-8-9-4-1-2-5-10(9)13-7-3-6-12-13/h1-7H,8,11H2
InChIKey: SJMJUZRSTJBVPG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1cccn1c2c(cccc2)CN
OpenEye OEToolkits 1.9.2c1ccc(c(c1)CN)n2cccn2
CACTVS 3.385NCc1ccccc1n2cccn2
Name:1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
ChEMBL: CHEMBL4525447
ZINC: ZINC000002506148
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).