BioLiP

PDB

BioLiP

PDB CCD ID:

41Q

Number of entries in BioLiP:

Chemical formula:

C4 H8 N2 O3

InChI:

InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1

InChIKey:

DCXYFEDJOCDNAF-REOHCLBHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](CC(O)=N)C(O)=O
OpenEye OEToolkits 1.7.6	[H]/N=C(/C[C@@H](C(=O)O)N)\O
OpenEye OEToolkits 1.7.6	C(C(C(=O)O)N)C(=N)O
ACDLabs 12.01	O=C(O)C(N)CC(=[N@H])O
CACTVS 3.385	N[CH](CC(O)=N)C(O)=O

Name:

4-imino-L-homoserine

ChEMBL:

CHEMBL58832

DrugBank:

DB00174

ZINC:

ZINC000001532556

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).