BioLiP

PDB

BioLiP

PDB CCD ID:

A1H0A

Number of entries in BioLiP:

Chemical formula:

C9 H20 B N2 O5

InChI:

InChI=1S/C9H20BN2O5/c11-7-5-9(8(13)14,12-6-7)3-1-2-4-10(15,16)17/h7,12,15-17H,1-6,11H2,(H,13,14)/q-1/t7-,9-/m1/s1

InChIKey:

GEKJTUVCDKWVBP-VXNVDRBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	[B-](CCCCC1(CC(CN1)N)C(=O)O)(O)(O)O
CACTVS 3.385	N[C@H]1CN[C@](CCCC[B-](O)(O)O)(C1)C(O)=O
OpenEye OEToolkits 2.0.7	[B-](CCCC[C@@]1(C[C@H](CN1)N)C(=O)O)(O)(O)O
CACTVS 3.385	N[CH]1CN[C](CCCC[B-](O)(O)O)(C1)C(O)=O

Name:

4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide

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).