BioLiP

PDB

BioLiP

PDB CCD ID:

V41

Number of entries in BioLiP:

Chemical formula:

C9 H11 N5 O

InChI:

InChI=1S/C9H11N5O/c10-8(11)7(9(12)15)14-13-6-4-2-1-3-5-6/h1-5,7H,(H3,10,11)(H2,12,15)/b14-13+/t7-/m1/s1

InChIKey:

IWQCRGGEGLIWHV-KJZWZZJGSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=N)[CH](N=Nc1ccccc1)C(N)=O
ACDLabs 12.01	N(=N/C(C(N)=O)/C(N)=N)\c1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N=NC(C(=N)N)C(=O)N
OpenEye OEToolkits 2.0.7	[H]/N=C(/[C@H](C(=O)N)/N=N/c1ccccc1)\N
CACTVS 3.385	NC(=N)[C@@H](N=Nc1ccccc1)C(N)=O

Name:

(2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide

ZINC:

ZINC000100061983

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).