BioLiP

PDB

BioLiP

PDB CCD ID:

81R

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O2 S2

InChI:

InChI=1S/C5H11NO2S2/c6-4(5(7)8)1-3(10)2-9/h3-4,9-10H,1-2,6H2,(H,7,8)/t3-,4+/m1/s1

InChIKey:

JVFQVJUNUZLFFO-DMTCNVIQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(C(CS)S)C(C(=O)O)N
CACTVS 3.385	N[C@@H](C[C@@H](S)CS)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CC(S)CS
CACTVS 3.385	N[CH](C[CH](S)CS)C(O)=O
OpenEye OEToolkits 1.7.6	C([C@H](CS)S)[C@@H](C(=O)O)N

Name:

(4R)-4,5-disulfanyl-L-norvaline

ZINC:

ZINC000098208584

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).