BioLiP

PDB

BioLiP

PDB CCD ID:

8D6

Number of entries in BioLiP:

Chemical formula:

C10 H8 Cl N3 O

InChI:

InChI=1S/C10H8ClN3O/c11-8-7(5-14-9(8)10(12)15)6-1-3-13-4-2-6/h1-5,14H,(H2,12,15)

InChIKey:

PGLBZRZEQTVNDN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)c1[nH]cc(c1Cl)c2ccncc2
OpenEye OEToolkits 2.0.6	c1cnccc1c2c[nH]c(c2Cl)C(=O)N

Name:

3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide

ChEMBL:

CHEMBL4072496

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).