BioLiP

PDB

BioLiP

PDB CCD ID:

OJY

Number of entries in BioLiP:

Chemical formula:

C9 H15 N3 O3

InChI:

InChI=1S/C9H15N3O3/c10-7(9(14)15)2-1-3-8-11-4-6(5-13)12-8/h4,7,13H,1-3,5,10H2,(H,11,12)(H,14,15)/t7-/m0/s1

InChIKey:

LQZCDDAMPJTCPF-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c([nH]c(n1)CCCC(C(=O)O)N)CO
OpenEye OEToolkits 2.0.7	c1c([nH]c(n1)CCC[C@@H](C(=O)O)N)CO
ACDLabs 12.01	C(c1nc(CO)cn1)CCC(C(=O)O)N
CACTVS 3.385	N[CH](CCCc1[nH]c(CO)cn1)C(O)=O
CACTVS 3.385	N[C@@H](CCCc1[nH]c(CO)cn1)C(O)=O

Name:

5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvaline

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).