BioLiP

PDB

BioLiP

PDB CCD ID:

BOR

Number of entries in BioLiP:

Chemical formula:

C5 H15 B N4 O2

InChI:

InChI=1S/C5H15BN4O2/c7-4(6(11)12)2-1-3-10-5(8)9/h4,11-12H,1-3,7H2,(H4,8,9,10)/t4-/m0/s1

InChIKey:

ACTXPNAHMKBUTO-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	B(C(CCCNC(=N)N)N)(O)O
ACDLabs 12.01	OB(O)C(N)CCCNC(=[N@H])N
CACTVS 3.370	N[C@@H](CCCNC(N)=N)B(O)O
CACTVS 3.370	N[CH](CCCNC(N)=N)B(O)O
OpenEye OEToolkits 1.7.0	B([C@H](CCCNC(=N)N)N)(O)O

Name:

(1R)-1-AMINO-4-{[(E)-AMINO(IMINO)METHYL]AMINO}BUTYLBORONIC ACID;
BORO ARGININE

ChEMBL:

CHEMBL1231428

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).