BioLiP

PDB

BioLiP

PDB CCD ID:

UVY

Number of entries in BioLiP:

Chemical formula:

C7 H12 N2 O

InChI:

InChI=1S/C7H12N2O/c1-2-9-6-7(3-4-10)5-8-9/h5-6,10H,2-4H2,1H3

InChIKey:

GQXSHPZGPIOSHQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCn1cc(CCO)cn1
OpenEye OEToolkits 2.0.7	CCn1cc(cn1)CCO
ACDLabs 12.01	n1cc(CCO)cn1CC

Name:

2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol

ZINC:

ZINC000053751892

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).