BioLiP

PDB

BioLiP

PDB CCD ID:

U8S

Number of entries in BioLiP:

Chemical formula:

C6 H11 N3 O3

InChI:

InChI=1S/C6H11N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4,6,8-9,12H,1,7H2,(H,10,11)/t4-,6-/m0/s1

InChIKey:

ISUKCUVQJCXRKC-NJGYIYPDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](CC1=CN[C@H](O)N1)C(O)=O
OpenEye OEToolkits 2.0.7	C1=C(N[C@H](N1)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.7	C1=C(NC(N1)O)CC(C(=O)O)N
ACDLabs 12.01	NC(CC1=CNC(O)N1)C(=O)O
CACTVS 3.385	N[CH](CC1=CN[CH](O)N1)C(O)=O

Name:

3-[(2S)-2-hydroxy-2,3-dihydro-1H-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).