BioLiP

PDB

BioLiP

PDB CCD ID:

UM7

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O2

InChI:

InChI=1S/C6H12N2O2/c1-10-6(9)5-3-2-4-7-8-5/h5,7-8H,2-4H2,1H3/t5-/m0/s1

InChIKey:

GAUFSAOOPHWSRO-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)[CH]1CCCNN1
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COC(=O)[C@@H]1CCCNN1
ACDLabs 12.01	C1NNC(CC1)C(=O)OC
OpenEye OEToolkits 2.0.7	COC(=O)C1CCCNN1

Name:

methyl (3S)-hexahydropyridazine-3-carboxylate

ZINC:

ZINC000038288957

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).