BioLiP

PDB

BioLiP

PDB CCD ID:

PCX

Number of entries in BioLiP:

Chemical formula:

C9 H16 N4 O3

InChI:

InChI=1S/C9H16N4O3/c10-9(11)12-4-1-2-6(8(15)16)13-5-3-7(13)14/h6H,1-5H2,(H,15,16)(H4,10,11,12)/t6-/m0/s1

InChIKey:

UYADDEKIZFRINK-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[H]N=C(N)NCCCC(C(=O)O)N1CCC1=O
ACDLabs 10.04	O=C(O)C(N1C(=O)CC1)CCCNC(=[N@H])N
CACTVS 3.341	NC(=N)NCCC[CH](N1CCC1=O)C(O)=O
OpenEye OEToolkits 1.5.0	[H]/N=C(/N)\NCCC[C@@H](C(=O)O)N1CCC1=O
CACTVS 3.341	NC(=N)NCCC[C@H](N1CCC1=O)C(O)=O

Name:

DEOXYGUANIDINOPROCLAVAMINIC ACID

DrugBank:

DB02475

ZINC:

ZINC000001530512

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).