BioLiP

PDB

BioLiP

PDB CCD ID:

SVU

Number of entries in BioLiP:

Chemical formula:

C7 H13 N3

InChI:

InChI=1S/C7H13N3/c1-3-10-5-4-7(9-10)6-8-2/h4-5,8H,3,6H2,1-2H3

InChIKey:

BBWULNDJJUENCE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCn1ccc(n1)CNC
ACDLabs 12.01 CACTVS 3.385	CCn1ccc(CNC)n1

Name:

1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine

ZINC:

ZINC000000034155

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).