BioLiP

PDB

BioLiP

PDB CCD ID:

HSO

Number of entries in BioLiP:

Chemical formula:

C6 H12 N3 O

InChI:

InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1

InChIKey:

ZQISRDCJNBUVMM-YFKPBYRVSA-O

SMILES:

Software	SMILES
CACTVS 3.385	N[C@H](CO)Cc1c[nH]c[nH+]1
CACTVS 3.385	N[CH](CO)Cc1c[nH]c[nH+]1
OpenEye OEToolkits 1.7.6	c1c([nH+]c[nH]1)CC(CO)N
ACDLabs 12.01	NC(CO)Cc1[nH+]cnc1
OpenEye OEToolkits 1.7.6	c1c([nH+]c[nH]1)C[C@@H](CO)N

Name:

L-histidinol

DrugBank:

DB03811

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).