BioLiP

PDB

BioLiP

PDB CCD ID:

HIS

Number of entries in BioLiP:

284

Chemical formula:

C6 H10 N3 O2

InChI:

InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1

InChIKey:

HNDVDQJCIGZPNO-YFKPBYRVSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1c([nH+]c[nH]1)CC(C(=O)O)N
CACTVS 3.341	N[CH](Cc1c[nH]c[nH+]1)C(O)=O
CACTVS 3.341	N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
ACDLabs 10.04	O=C(O)C(N)Cc1cnc[nH+]1
OpenEye OEToolkits 1.5.0	c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N

Name:

HISTIDINE

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).