BioLiP

PDB

BioLiP

PDB CCD ID:

30V

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O3 S Se

InChI:

InChI=1S/C10H12N2O3SSe/c11-7(10(14)15)5-16-17-8-4-2-1-3-6(8)9(12)13/h1-4,7H,5,11H2,(H2,12,13)(H,14,15)/t7-/m0/s1

InChIKey:

PCXNBMCCBAIGGP-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](CS[Se]c1ccccc1C(N)=O)C(O)=O
OpenEye OEToolkits 1.7.6	c1ccc(c(c1)C(=O)N)[Se]SCC(C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)CS[Se]c1ccccc1C(=O)N
OpenEye OEToolkits 1.7.6	c1ccc(c(c1)C(=O)N)[Se]SC[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](CS[Se]c1ccccc1C(N)=O)C(O)=O

Name:

S-[(2-carbamoylphenyl)selanyl]-L-cysteine

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).