BioLiP

PDB

BioLiP

PDB CCD ID:

UU1

Number of entries in BioLiP:

Chemical formula:

C5 H7 Br N2 O

InChI:

InChI=1S/C5H7BrN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2

InChIKey:

REUWXYIZJBMWPB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n1cc(cn1CCO)Br
CACTVS 3.385	OCCn1cc(Br)cn1
OpenEye OEToolkits 2.0.7	c1c(cn(n1)CCO)Br

Name:

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

ZINC:

ZINC000012357746

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).