BioLiP

PDB

BioLiP

PDB CCD ID:

B0N

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3 O

InChI:

InChI=1S/C15H15N3O/c1-18-15-9-12(5-6-14(15)16-17-18)7-11-3-2-4-13(8-11)10-19/h2-6,8-9,19H,7,10H2,1H3

InChIKey:

CSSCVBUYJAGWCZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1nnc2ccc(Cc3cccc(CO)c3)cc12
OpenEye OEToolkits 2.0.6	Cn1c2cc(ccc2nn1)Cc3cccc(c3)CO

Name:

[3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol

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).