BioLiP

PDB

BioLiP

PDB CCD ID:

L4Z

Number of entries in BioLiP:

Chemical formula:

C7 H11 N3 O2

InChI:

InChI=1S/C7H11N3O2/c1-5-3-6(10(2)9-5)4-8-7(11)12/h3,8H,4H2,1-2H3,(H,11,12)

InChIKey:

GIQHHEQBVBVTAS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(n(n1)C)CNC(=O)O
CACTVS 3.385	Cn1nc(C)cc1CNC(O)=O

Name:

(2,5-dimethylpyrazol-3-yl)methylcarbamic acid

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).