BioLiP

PDB

BioLiP

PDB CCD ID:

OUR

Number of entries in BioLiP:

Chemical formula:

C7 H18 N5 O2

InChI:

InChI=1S/C7H17N5O2/c8-5(4-12-7(13)14)2-1-3-11-6(9)10/h5,12H,1-4,8H2,(H,13,14)(H4,9,10,11)/p+1/t5-/m0/s1

InChIKey:

BPSMJLMFAYHPDH-YFKPBYRVSA-O

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCCNC(N)=[NH2+])CNC(O)=O
CACTVS 3.385	N[C@@H](CCCNC(N)=[NH2+])CNC(O)=O
OpenEye OEToolkits 2.0.6	C(CC(CNC(=O)O)N)CNC(=[NH2+])N
OpenEye OEToolkits 2.0.6	C(C[C@@H](CNC(=O)O)N)CNC(=[NH2+])N

Name:

[azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium

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).