BioLiP

PDB

BioLiP

PDB CCD ID:

GK8

Number of entries in BioLiP:

Chemical formula:

C6 H13 As N3 O4

InChI:

InChI=1S/C6H14AsN3O4/c8-5(3-14-7(11,12)13)1-6-2-9-4-10-6/h2,4-5,7,11-13H,1,3,8H2,(H,9,10)/t5-/m0/s1

InChIKey:

ULOXOLOOGPGSSX-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1c([nH]cn1)CC(CO[As](O)(O)O)N
CACTVS 3.370	N[CH](CO[As](O)(O)O)Cc1[nH]cnc1
ACDLabs 12.01	n1cc(nc1)CC(N)CO[As](O)(O)O
OpenEye OEToolkits 1.7.6	c1c([nH]cn1)C[C@@H](CO[As](O)(O)O)N
CACTVS 3.370	N[C@H](CO[As](O)(O)O)Cc1[nH]cnc1

Name:

{[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl

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).