BioLiP

PDB

BioLiP

PDB CCD ID:

BYY

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2 O3 Se

InChI:

InChI=1S/C10H16N2O3Se/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1

InChIKey:

HVUDXAKXEONARI-ZKWXMUAHSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1NC2C(N1)C([Se]C2)CCCCC(O)=O
CACTVS 3.385	OC(=O)CCCC[C@@H]1[Se]C[C@@H]2NC(=O)N[C@H]12
OpenEye OEToolkits 2.0.4	C1C2C(C([Se]1)CCCCC(=O)O)NC(=O)N2
OpenEye OEToolkits 2.0.4	C1[C@H]2[C@@H]([C@@H]([Se]1)CCCCC(=O)O)NC(=O)N2
CACTVS 3.385	OC(=O)CCCC[CH]1[Se]C[CH]2NC(=O)N[CH]12

Name:

5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid;
selenobiotin

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).