BioLiP

PDB

BioLiP

PDB CCD ID:

5A6

Number of entries in BioLiP:

Chemical formula:

C11 H20 N4 O3

InChI:

InChI=1S/C11H20N4O3/c12-7-3-1-2-4-9-14-15-10(18-9)6-5-8(13)11(16)17/h8H,1-7,12-13H2,(H,16,17)/t8-/m0/s1

InChIKey:

XXNJPPZYKMFZTO-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C(CCc1nnc(o1)CCC(C(=O)O)N)CCN
CACTVS 3.385	NCCCCCc1oc(CC[CH](N)C(O)=O)nn1
ACDLabs 12.01	O=C(C(N)CCc1nnc(CCCCCN)o1)O
OpenEye OEToolkits 1.9.2	C(CCc1nnc(o1)CC[C@@H](C(=O)O)N)CCN
CACTVS 3.385	NCCCCCc1oc(CC[C@H](N)C(O)=O)nn1

Name:

(2S)-2-amino-4-[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]butanoic acid

ZINC:

ZINC000263621243

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).