BioLiP

PDB

BioLiP

PDB CCD ID:

B3U

Number of entries in BioLiP:

Chemical formula:

C6 H10 N4 O2

InChI:

InChI=1S/C6H10N4O2/c7-4(5(11)12)1-3-2-9-6(8)10-3/h2,4H,1,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1

InChIKey:

UYEGXSNFZXWSDV-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[CH](Cc1[nH]c(N)nc1)C(O)=O
ACDLabs 12.01	O=C(O)C(N)Cc1cnc(N)n1
OpenEye OEToolkits 1.7.0	c1c([nH]c(n1)N)CC(C(=O)O)N
OpenEye OEToolkits 1.7.0	c1c([nH]c(n1)N)C[C@@H](C(=O)O)N
CACTVS 3.370	N[C@@H](Cc1[nH]c(N)nc1)C(O)=O

Name:

2-amino-L-histidine

ChEMBL:

CHEMBL1099167

ZINC:

ZINC000026286704

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).