BioLiP

PDB

BioLiP

PDB CCD ID:

HA3

Number of entries in BioLiP:

Chemical formula:

C18 H16 N4 O3 S

InChI:

InChI=1S/C18H16N4O3S/c23-17(20-25)14-6-7-15(26-14)18(24)21-8-9-22-13(10-19-16(22)11-21)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,23)

InChIKey:

SMSIXMLQOONOQQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(=O)NO
CACTVS 3.341	ONC(=O)c1sc(cc1)C(=O)N2CCn3c(C2)ncc3c4ccccc4
ACDLabs 10.04	O=C(c1sc(C(=O)NO)cc1)N4Cc3ncc(c2ccccc2)n3CC4

Name:

N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide

DrugBank:

DB07879

ZINC:

ZINC000016052633

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).