BioLiP

PDB

BioLiP

PDB CCD ID:

A1ASZ

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3 O2 S

InChI:

InChI=1S/C6H9N3O2S/c7-3(6(10)11)1-4-5(12)9-2-8-4/h2-3,12H,1,7H2,(H,8,9)(H,10,11)/t3-/m0/s1

InChIKey:

WBSBVAGWUGLYEZ-VKHMYHEASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1[nH]c(c(n1)C[C@@H](C(=O)O)N)S
CACTVS 3.385	N[CH](Cc1nc[nH]c1S)C(O)=O
CACTVS 3.385	N[C@H](Cc1nc[nH]c1S)C(O)=O
ACDLabs 12.01	Sc1[NH]cnc1CC(N)C(=O)O
OpenEye OEToolkits 2.0.7	c1[nH]c(c(n1)CC(C(=O)O)N)S

Name:

5-sulfanyl-L-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).