SEQ2FUN

BioLiP

PDB CCD ID: Q8D
Number of entries in BioLiP: 2
Chemical formula: C13 H15 N3 O2
InChI: InChI=1S/C13H15N3O2/c17-13(18)9-6-7-12-11(8-9)14-15-16(12)10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18)
InChIKey: GLIAIPXYMCWRTG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc2n(nnc2c1)C3CCCCC3
OpenEye OEToolkits 2.0.7c1cc2c(cc1C(=O)O)nnn2C3CCCCC3
ACDLabs 12.01c12cc(C(O)=O)ccc1n(nn2)C3CCCCC3
Name:1-cyclohexyl-1H-benzotriazole-5-carboxylic acid
ChEMBL: CHEMBL383099
ZINC: ZINC000002487601
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).