BioLiP

PDB

BioLiP

PDB CCD ID:

1CJ

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O2

InChI:

InChI=1S/C10H12N2O2/c1-2-14-10(13)8-7-11-12-6-4-3-5-9(8)12/h3-7,10,13H,2H2,1H3/t10-/m1/s1

InChIKey:

PRBAQSLZJZOCSB-SNVBAGLBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n1cc(c2ccccn12)C(O)OCC
CACTVS 3.370	CCO[CH](O)c1cnn2ccccc12
CACTVS 3.370	CCO[C@@H](O)c1cnn2ccccc12
OpenEye OEToolkits 1.7.6	CCOC(c1cnn2c1cccc2)O
OpenEye OEToolkits 1.7.6	CCO[C@H](c1cnn2c1cccc2)O

Name:

(R)-ethoxy(pyrazolo[1,5-a]pyridin-3-yl)methanol

ZINC:

ZINC000098207944

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).