BioLiP

PDB

BioLiP

PDB CCD ID:

LM6

Number of entries in BioLiP:

Chemical formula:

C7 H13 N3

InChI:

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

InChIKey:

IPBXAQNEXLMXRW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCn1c(ccn1)CNC
ACDLabs 12.01 CACTVS 3.385	CCn1nccc1CNC

Name:

1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine

ZINC:

ZINC000000034156

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).