BioLiP

PDB

BioLiP

PDB CCD ID:

QQ8

Number of entries in BioLiP:

Chemical formula:

C6 H13 N3 O3

InChI:

InChI=1S/C6H13N3O3/c7-4(1-2-5(8)10)3-9-6(11)12/h4,9H,1-3,7H2,(H2,8,10)(H,11,12)/t4-/m0/s1

InChIKey:

MISYRPXYMKXXTM-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCC(N)=O)CNC(O)=O
CACTVS 3.385	N[C@@H](CCC(N)=O)CNC(O)=O
OpenEye OEToolkits 2.0.7	C(CC(=O)N)[C@@H](CNC(=O)O)N
OpenEye OEToolkits 2.0.7	C(CC(=O)N)C(CNC(=O)O)N

Name:

(4~{S})-4-azanyl-5-formamido-pentanamide

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).