BioLiP

PDB

BioLiP

PDB CCD ID:

01M

Number of entries in BioLiP:

Chemical formula:

C7 H13 N3 O2

InChI:

InChI=1S/C7H13N3O2/c8-7(9)10-3-1-2-5(4-10)6(11)12/h5H,1-4H2,(H3,8,9)(H,11,12)/t5-/m0/s1

InChIKey:

GVADBJCGWVJBRF-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.370	NC(=N)N1CCC[CH](C1)C(O)=O
ACDLabs 12.01	O=C(O)C1CCCN(C(=[N@H])N)C1
OpenEye OEToolkits 1.7.0	[H]/N=C(\N)/N1CCC[C@@H](C1)C(=O)O
CACTVS 3.370	NC(=N)N1CCC[C@@H](C1)C(O)=O
OpenEye OEToolkits 1.7.0	C1CC(CN(C1)C(=N)N)C(=O)O

Name:

(3S)-1-carbamimidoylpiperidine-3-carboxylic acid

ZINC:

ZINC000028233328

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).