BioLiP

PDB

BioLiP

PDB CCD ID:

N2Q

Number of entries in BioLiP:

Chemical formula:

C8 H8 N2 O

InChI:

InChI=1S/C8H8N2O/c1-6-2-3-8(11-6)7-4-5-9-10-7/h2-5H,1H3,(H,9,10)

InChIKey:

ZIJASYNQNLPMPY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1ccc(o1)c1[NH]ncc1
OpenEye OEToolkits 2.0.7	Cc1ccc(o1)c2ccn[nH]2
CACTVS 3.385	Cc1oc(cc1)c2[nH]ncc2

Name:

(5P)-5-(5-methylfuran-2-yl)-1H-pyrazole

ZINC:

ZINC000032501645

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).