BioLiP

PDB

BioLiP

PDB CCD ID:

ALJ

Number of entries in BioLiP:

Chemical formula:

C11 H19 N5 O2

InChI:

InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1

InChIKey:

ZRJHYOXNWCMGMW-YUMQZZPRSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC(N)=NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C1=O
CACTVS 3.341	NC(N)=NCCC[CH]1NC(=O)[CH]2CCCN2C1=O
OpenEye OEToolkits 1.5.0	C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CCCN=C(N)N
OpenEye OEToolkits 1.5.0	C1CC2C(=O)NC(C(=O)N2C1)CCCN=C(N)N
ACDLabs 10.04	O=C1N2C(C(=O)NC1CCC/N=C(\N)N)CCC2

Name:

CYCLO-(L-ARGININE-L-PROLINE) INHIBITOR;
N''-{3-[(3S,8AR)-1,4-DIOXOOCTAHYDROPYRROLO[1,2-A]PYRAZIN-3-YL]PROPYL}GUANIDINE

DrugBank:

DB04433

ZINC:

ZINC000013584769

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).