BioLiP

PDB

BioLiP

PDB CCD ID:

OUH

Number of entries in BioLiP:

Chemical formula:

C7 H12 N4 O2

InChI:

InChI=1S/C7H12N4O2/c8-5(2-10-7(12)13)1-6-3-9-4-11-6/h3-5,10H,1-2,8H2,(H,9,11)(H,12,13)/t5-/m0/s1

InChIKey:

ARHIBHLYEPIGGS-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1c([nH]cn1)C[C@@H](CNC(=O)O)N
CACTVS 3.385	N[CH](CNC(O)=O)Cc1[nH]cnc1
OpenEye OEToolkits 2.0.6	c1c([nH]cn1)CC(CNC(=O)O)N
CACTVS 3.385	N[C@H](CNC(O)=O)Cc1[nH]cnc1

Name:

[(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid

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).