BioLiP

PDB

BioLiP

PDB CCD ID:

DYT

Number of entries in BioLiP:

Chemical formula:

C6 H7 Cl N2 O2

InChI:

InChI=1S/C6H7ClN2O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1H2,(H,8,9)(H,10,11)/t5-/m0/s1

InChIKey:

JZLQYMHAXPPICX-YFKPBYRVSA-N

SMILES:

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

Name:

(2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic acid

ZINC:

ZINC000001571549

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).