BioLiP

PDB

BioLiP

PDB CCD ID:

OHI

Number of entries in BioLiP:

Chemical formula:

C6 H7 N3 O3

InChI:

InChI=1S/C6H7N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)/t4-/m0/s1

InChIKey:

MWUSZYAURGSGRY-BYPYZUCNSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C1N=C(C=N1)CC(N)C(=O)O
CACTVS 3.341	N[CH](CC1=NC(=O)N=C1)C(O)=O
CACTVS 3.341	N[C@@H](CC1=NC(=O)N=C1)C(O)=O
OpenEye OEToolkits 1.5.0	C1=NC(=O)N=C1C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0	C1=NC(=O)N=C1CC(C(=O)O)N

Name:

3-(2-OXO-2H-IMIDAZOL-4-YL)-L-ALANINE

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).