BioLiP

PDB

BioLiP

PDB CCD ID:

B27

Number of entries in BioLiP:

Chemical formula:

C4 H11 N O S

InChI:

InChI=1S/C4H11NOS/c1-3(6)4(5)2-7/h3-4,6-7H,2,5H2,1H3/t3-,4-/m1/s1

InChIKey:

LXDJRZZMWYIUAR-QWWZWVQMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C(CS)N)O
OpenEye OEToolkits 1.5.0	C[C@H]([C@@H](CS)N)O
CACTVS 3.341	C[C@@H](O)[C@H](N)CS
CACTVS 3.341	C[CH](O)[CH](N)CS
ACDLabs 10.04	OC(C)C(N)CS

Name:

(2R,3S) 3-amino-4-mercapto-2-butanol;
(2R,3S)-3-amino-4-sulfanylbutan-2-ol

ZINC:

ZINC000058631786

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).