SEQ2FUN

BioLiP

PDB CCD ID: 913
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N3
InChI: InChI=1S/C10H11N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H,8,11H2
InChIKey: YWZKZHCZKIKAAC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(cc(c1)n2cccn2)CN
CACTVS 3.385NCc1cccc(c1)n2cccn2
ACDLabs 12.01n1cccn1c2cccc(c2)CN
Name:(3-PYRAZOL-1-YLPHENYL)METHANAMINE;
FRAGMENT CC32913
ChEMBL: CHEMBL1622853
ZINC: ZINC000000142499
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).