BioLiP

PDB

BioLiP

PDB CCD ID:

A1L16

Number of entries in BioLiP:

Chemical formula:

C15 H15 N O

InChI:

InChI=1S/C15H15NO/c1-10(2)15(17)12-7-4-3-6-11(12)14-13(15)8-5-9-16-14/h3-10,17H,1-2H3/t15-/m1/s1

InChIKey:

VQGAKSMYTWYVAJ-OAHLLOKOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)[C]1(O)c2ccccc2c3ncccc13
OpenEye OEToolkits 2.0.7	CC(C)C1(c2ccccc2-c3c1cccn3)O
OpenEye OEToolkits 2.0.7	CC(C)[C@]1(c2ccccc2-c3c1cccn3)O
CACTVS 3.385	CC(C)[C@@]1(O)c2ccccc2c3ncccc13

Name:

(5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-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).