BioLiP

PDB

BioLiP

PDB CCD ID:

S2C

Number of entries in BioLiP:

Chemical formula:

C5 H13 B N O5 S

InChI:

InChI=1S/C5H13BNO5S/c7-4(5(8)9)3-13-2-1-6(10,11)12/h4,10-12H,1-3,7H2,(H,8,9)/q-1/t4-/m0/s1

InChIKey:

XLVRIIJULVQAMP-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@@H](CSCC[B-](O)(O)O)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CSCC[B-](O)(O)O
OpenEye OEToolkits 1.7.0	[B-](CCSCC(C(=O)O)N)(O)(O)O
OpenEye OEToolkits 1.7.0	[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O
CACTVS 3.370	N[CH](CSCC[B-](O)(O)O)C(O)=O

Name:

S-2-(BORONOETHYL)-L-CYSTEINE

DrugBank:

DB03731

ZINC:

ZINC000195757320

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).