BioLiP

PDB

BioLiP

PDB CCD ID:

HL3

Number of entries in BioLiP:

Chemical formula:

C8 H12 N2 O2

InChI:

InChI=1S/C8H12N2O2/c1-3-6(2)10-5-4-9-7(10)8(11)12/h4-6H,3H2,1-2H3,(H,11,12)/t6-/m1/s1

InChIKey:

UXKUKTPAIPSEHC-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC[C@@H](C)n1ccnc1C(=O)O
CACTVS 3.385	CC[CH](C)n1ccnc1C(O)=O
OpenEye OEToolkits 2.0.7	CCC(C)n1ccnc1C(=O)O
CACTVS 3.385	CC[C@@H](C)n1ccnc1C(O)=O

Name:

1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic 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).